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Dihydrocholesterol

CAS：80-97-7
MW:388.67
MF：C27H48O

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Dihydrocholesterol

1.2 Synonyms: (3b,5a)-Cholestan-3-ol; (3beta,5alpha)-cholestan-3-o; (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Diméthyl-17-[(2R)-6-méthyl-2-heptanyl]hexadécahydro-1H-cyclopenta[a]phénanthrén-3-ol; (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3Β,5α)-Cholestan-3-ol; (5alpha)-cholestan-3beta-ol; (5α)-cholestan-3Β-ol; 3.Β.-Hydroxy-5.α.-cholestane; 3b-Hydroxy-5a-cholestane; 3Β-Hydroxy-5α-cholestane; 5a-Cholestan-3b-ol; 5a-Dihydrocholesterol; 5alpha-Cholestanol; 5alpha-Dihydrocholesterol; 5α-cholestan-3ß-ol; 5α-Cholestan-3Β-ol; 5α-Dihydrocholesterol; b-Cholestanol; BETA-CHOLESTANOL; beta-cholrestanol; Cholestan-3beta-ol; Cholestan-3-ol; Cholestan-3-ol, (3beta,5alpha)-; Cholestan-3-ol, (3Β,5α)-; cholestanol; Cholestanol (VAN); Dihydrocholesterin; EINECS 201-315-8; MFCD00066413; Β-Cholestanol; β-Cholestanol (contains α-Cholestanol);

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1.3 CAS No.: 80-97-7

1.4 CID: 6665

1.5 EINECS: 201-315-8

1.6 Molecular Formula: C27H48O

1.7 Inchi: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

1.8 InChkey: QYIXCDOBOSTCEI-QCYZZNICSA-N

1.9 Canonical Smiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

1.10 Isomers Smiles: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C

2. Properties

2.1 Solubility: chloroform: 0.1?g/mL, clear, colorless

2.2 Appearance: Solid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white powder

2.5 Color/Form: Powder

2.6 Physical: Solid

2.7 pKa: 15.14±0.70(Predicted)

2.8 Water Solubility: Insoluble in water.chloroform: 0.1?g/mL, clear, colorless

2.9 Spectral Properties: Index of refraction: 1.5379 @ 20 deg C/D
Intense mass spectral peaks: 107 m/z (100%), 109 m/z (94%), 81 m/z (6%), 79 m/z (6%)
IR: 15294 (Sadtler Research Laboratories IR Grating Collection)
1H NMR: 7554 (Sadtler Research Laboratories Spectral Collection)
MASS: 22302 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)

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2.10 Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

2.11 StorageTemp: -20°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A cholestanoid that is (5alpha)-cholestane substituted by a beta-hydroxy group at position 3.

3.2 Description

5α-Cholestan-3β-ol is a derivitized steroid compound, which is isolated from the testes of White Carneau pigeons.

A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter.

3.3 Purification Methods: Purify 5--cholestan-3-ol via acetylation, crystallisation and de-acetylation, then recrystallisation from EtOH or slightly aqueous EtOH, or MeOH. Its solubility is: 0.5% (MeOH) and 1% (EtOH) at 25o. [Mizutani & Whitten J Am Chem Soc 107 3621 1985.] The acetate has m 114-115o from EtOAc/MeOH and, [] D 20 +13o (c 2, CHCl3). [Bruce & Ralls Org Synth Col Vol II 191 1943, Beilstein 6 IV 3577.] DihydrocholesterolSupplier

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4. Safety and Handling

4.1 Octanol/Water Partition Coefficient: log Kow = 1.96

4.2 Other Preventative Measures: DO NOT REUSE /CONTAMINATED/ CLOTHING OR SHOES UNTIL COMPLETELY FREE OF CHEM ODOR.
Good general ventilation is necessary in workrooms in which dibromoethane is used. Vessels containing the liquid should be covered and processes involving its use should be provided with local exhaust ventilation.
Leather foot protection is readily permeated by the liquid form of dibromoethane, so that it should be discarded if it has been exposed to appreciable amounts.
... NIOSH of the USA recommended that (a) worker should not be exposed to dibromoethane during the course of disulfiram therapy ... & (b) no worker should be exposed to both dibromoethane and disulfiram (the latter being also used in industry as an accelerator in rubber prodn, a fungicide and insecticide).
If the use of respirators is necessary, the only respirators permitted are those that have been approved by the Mine Safety and Health Administration (formerly Mining Enforcement and Safety Administration) or by the National Institute for Occupational Safety and Health.
In addition to respirator selection, a complete respiratory protection program should be instituted which includes regular training, maintenance, inspection, cleaning, and evaluation.
Skin that becomes contaminated with liquid ethylene dibromide should be immediately washed or showered with soap or mild detergent and water to remove any ethylene dibromide.
Eating and smoking should not be permitted in areas where liquid ethylene dibromide is handled, processed, or stored.
Employees who handle liquid ethylene dibromide should wash their hands thoroughly with soap or mild detergent and water before eating, smoking, or using toilet facilities.
Clothing contaminated with liquid ethylene dibromide should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of ethylene dibromide from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the ethylene dibromide, the person performing the operation should be informed of ethylene dibromide's hazardous properties. Non-impervious clothing which becomes contaminated with liquid ethylene dibromide should be removed immediately and not reworn until the ethylene dibromide is removed from the clothing.
Where there is any possibility of exposure of an employee's eyes or body to liquid ethylene dibromide, facilities for quick drenching of the body and an eye-wash fountain should be provided within the immediate work area for emergency use.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers.
PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Principles that apply to chem or biochem lab also apply to microbiological & cell-culture labs ... Special consideration should be given to route of admin. ... Safest method of administering volatile carcinogen is by injection of a soln. Admin by topical application, gavage, or intratracheal instillation should be performed under hood. If chem will be exhaled, animals should be kept under hood during this period. Inhalation exposure requires special equipment. ... Unless specifically required, routes of admin other than in the diet should be used. Mixing of carcinogen in diet should be carried out in sealed mixers under fume hood, from which the exhaust is fitted with an efficient particulate filter. Techniques for cleaning mixer & hood should be devised before expt begun. When mixing diets, special protective clothing &, possibly, respirators may be required. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": When ... admin in diet or applied to skin, animals should be kept in cages with solid bottoms & sides & fitted with a filter top. When volatile carcinogens are given, filter tops should not be used. Cages which have been used to house animals that received carcinogens should be decontaminated. Cage-cleaning facilities should be installed in area in which carcinogens are being used, to avoid moving of ... contaminated /cages/. It is difficult to ensure that cages are decontaminated, & monitoring methods are necessary. Situations may exist in which the use of disposable cages should be recommended, depending on type & amt of carcinogen & efficiency with which it can be removed. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": To eliminate risk that ... contamination in lab could build up during conduct of expt, periodic checks should be carried out on lab atmospheres, surfaces, such as walls, floors & benches, & ... interior of fume hoods & airducts. As well as regular monitoring, check must be carried out after cleaning-up of spillage. Sensitive methods are required when testing lab atmospheres. ... Methods ... should ... where possible, be simple & sensitive. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Rooms in which obvious contamination has occurred, such as spillage, should be decontaminated by lab personnel engaged in expt. Design of expt should ... avoid contamination of permanent equipment. ... Procedures should ensure that maintenance workers are not exposed to carcinogens. ... Particular care should be taken to avoid contamination of drains or ventilation ducts. In cleaning labs, procedures should be used which do not produce aerosols or dispersal of dust, ie, wet mop or vacuum cleaner equipped with high-efficiency particulate filter on exhaust, which are avail commercially, should be used. Sweeping, brushing & use of dry dusters or mops should be prohibited. Grossly contaminated cleaning materials should not be re-used ... If gowns or towels are contaminated, they should not be sent to laundry, but ... decontaminated or burnt, to avoid any hazard to laundry personnel. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Doors leading into areas where carcinogens are used ... should be marked distinctively with appropriate labels. Access ... limited to persons involved in expt. ... A prominently displayed notice should give the name of the Scientific Investigator or other person who can advise in an emergency & who can inform others (such as firemen) on the handling of carcinogenic substances. /Chemical Carcinogens/
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed or replaced.
If material not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary.
Personnel protection: Keep upwind. ... Avoid breathing vapors or dusts. Wash away any material which may have contacted the body with copious amounts of water or soap and water.

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4.3 Cleanup Methods: 1. VENTILATE AREA OF SPILL OR LEAK. 2. IF IN LIQ FORM, COLLECT FOR RECLAMATION OR ABSORB IN VERMICULITE, DRY SAND, EARTH, OR SIMILAR MATERIAL. 3. IF IN SOLID FORM, COLLECT ... IN MOST CONVENIENT & SAFE MANNER FOR RECLAMATION.
Environmental considerations: Land spill: Build a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply universal gelling agent to immobilize the spill.
Environmental considerations: Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at the bottom. If dissolved, in region of 10 ppm or greater concn, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
Stop or control the leak, if this can be done without undue risk. Use appropriate foam to blanket release and suppress vapors. Absorb in noncombustible material for proper disposal.

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4.4 DisposalMethods: Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U067, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Ethylene dibromide is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. Controlled incineration with adequate scrubbing and ash disposal facilities.
A potential candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A potential candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
Group I Containers: Combustible containers from organic or metallo-organic pesticides (except organic mercury, lead, cadmium, or arsenic compounds) should be disposed of in pesticide incinerators or in specified landfill sites. /Organic or metallo-organic pesticides/
Group II Containers: Non-combustible containers from organic or metallo-organic pesticides (except organic mercury, lead, cadmium, or arsenic compounds) must first be triple-rinsed. Containers that are in good condition may be returned to the manufacturer or formulator of the pesticide product, or to a drum reconditioner for reuse with the same type of pesticide product, if such reuse is legal under Department of Transportation regulations (eg 49 CFR 173.28). Containers that are not to be reused should be punctured ... and transported to a scrap metal facility for recycling, disposal or burial in a designated landfill. /Organic or metallo-organic pesticides/
1,2-Dibromoethane has a very low solubility in water and can be removed from effluents by gravity separators or settling ponds. Small remainders may be removed by aerating the water, whereby the harmful material evaporates. The gases which form during this process have to be burnt in special waste incinerators, because during decomposition of 1,2-dibromoethane; hydrogen bromide is liberated. However, this action will only be necessary if the emission of hydrogen bromide rises above the permitted level. Recommendable methods: Incineration & evaporation. Not recommendable method: Discharge to sewer. Peer-review: Bromine cmpd should be more diluted with hydrocarbons than the equivalent chlorine cmpd. Large amt burned may lead to the emission of bromine. Small amt: evaporate. (Peer-review conclusions of an IRPTC expert consultation (May 1985))
Incineration: The Manufacturing Chemists Association suggests the following disposal procedures for EDB /1,2-dibromoethane/ and other bromine-containing cmpd: Pour onto vermiculite, sodium bicarbonate or a sand-soda ash mixture (90-10). Mix and shovel into paper boxes. Place in an open incinerator. Cover with scrap wood and paper. Ignite with an excelsior train or dump into a closed incinerator with afterburner. Dissolve in a flammable solvent. Spray into the fire box of an incinerator equipped with afterburner and scrubber (alkali).
PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Small quantities of ... some carcinogens can be destroyed using chem reactions ... but no general rules can be given. ... As a general technique ... treatment with sodium dichromate in strong sulfuric acid can be used. The time necessary for destruction ... is seldom known ... but 1-2 days is generally considered sufficient when freshly prepd reagent is used. ... Carcinogens that are easily oxidizable can be destroyed with milder oxidative agents, such as saturated soln of potassium permanganate in acetone, which appears to be a suitable agent for destruction of hydrazines or of compounds containing isolated carbon-carbon double bonds. Concn or 50% aqueous sodium hypochlorite can also be used as an oxidizing agent. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Carcinogens that are alkylating, arylating or acylating agents per se can be destroyed by reaction with appropriate nucleophiles, such as water, hydroxyl ions, ammonia, thiols & thiosulfate. The reactivity of various alkylating agents varies greatly ... & is also influenced by sol of agent in the reaction medium. To facilitate the complete reaction, it is suggested that the agents be dissolved in ethanol or similar solvents. ... No method should be applied ... until it has been thoroughly tested for its effectiveness & safety on material to be inactivated. For example, in case of destruction of alkylating agents, it is possible to detect residual compounds by reaction with 4(4-nitrobenzyl)-pyridine. /Chemical Carcinogens/

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4.5 DOT Emergency Guidelines: If ... THERE IS NO FIRE, go directly to the Table of Initial Isolation and Protective Action Distances /(see table below)/ ... to obtain initial isolation and protective action distances. IF THERE IS A FIRE, or IF A FIRE IS INVOLVED, go directly to the appropriate guide /(see guide(s) below)/ and use the evacuation information shown under PUBLIC SAFETY. Table of Initial Isolation and Protective Action Distances for Ethylene dibromide Small Spills (from a small package or small leak from a large package) -------------------- First ISOLATE in all Directions 30 meters (100 feet) Then PROTECT persons Downwind during DAY: 0.1 kilometers (0.1 miles) Then PROTECT persons Downwind during NIGHT: 0.1 kilometers (0.1 miles) ==================== Large Spills (from a large package or from many small packages) -------------------- First ISOLATE in all Directions 30 meters (100 feet) Then PROTECT persons Downwind during DAY: 0.3 kilometers (0.2 miles) Then PROTECT persons Downwind during NIGHT: 0.6 kilometers (0.4 miles)
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.

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4.6 Fire Fighting Procedures: Use water spray or foam for fighting fires where ethylene dibromide is stored. Use water to keep fire-exposed containers cool.
If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. Material itself does not burn or burns with difficulty.
Extinguish fire using agent suitable for surrounding fire. Use water to keep fire-exposed containers cool.

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4.7 FirePotential: Not flammable

4.8 Formulations/Preparations: In oil; mixtures: (ethylene dibromide +) chloropicrin; methyl bromide
Emulsifiable; wt/gal 18.1 lb
Liquid grade
Motor fuel antiknock mixes ca 18% or 2.8 g/l ethylene dibromide and aviation fuel antiknock mixes contain 36% ethylene dibromide.

4.9 Protective Equipment and Clothing: ... ETHYLENE DIBROMIDE WILL PENETRATE THROUGH SEVERAL TYPES OF PROTECTIVE CLOTHING, PARTICULARLY NEOPRENE RUBBER & SEVERAL TYPES OF PLASTIC GLOVES. NYLON ... MOST RESISTANT MATERIAL BUT ... /LACKS/ IN GOOD PHYSICAL CHARACTERISTICS. ... COMBINATION OF NEOPRENE & NYLON /PROPOSED/.
Protective clothing should be worn which includes the following: gloves, bib-type aprons, boots, and overshoes.
At less than or equal to 10 mg/cu m: supplied-air respirator with half-mask facepiece operated in demand (positive pressure) mode; less than or equal to 50 mg/cu m: supplied-air respirator with full facepiece; less than or equal to 2,000 mg/cu m: type C supplied-air respirator with full facepiece operated in continuous-flow mode; greater than 2,000 mg/cu m or entry into an area of unknown concn: self-contained breathing apparatus with full facepiece operated in pressure-demand or other positive pressure mode.
Chlorinated polyethylene as a material for protective clothing has shown break through times of less than one hour, and is therefore not recommended for use with ethylene dibromide.
Employees should be provided with and required to use impervious clothing, gloves, face-shields (eight-inch minimum), and other appropriate protective clothing necessary to prevent any possibility of skin contact with ethylene dibromide. Employees should be provided with and required to use splash-proof goggles where there is any possibility of liquid ethylene dibromide contacting the eyes.
PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possbility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]
Recommendations for respirator selection. Condition: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration. Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode. Any supplied-air respirator that has a full face piece and is operated in pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any appropriate escape-type, self-contained breathing apparatus.

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4.10 Reactivities and Incompatibilities: Incompatible with calcium, liquid ammonia, zinc, sodium, potassium, and strong oxidizers.
Vinyl bromide is formed slowly on contact with a warm alkaline solution.
If a mixture of liquid ammonia and ethylene bromide is allowed to reach room temperature, an explosion may result with formation of ethylene diamine and higher homologs.
Reaction between magnesium and 1,2-dibromoethane may become violent and release air-sensitive Grignard compounds.
Reacts with hot aluminum.
Reacts with oxidizing materials, alkali metals, ammonia.
Chemically active metals such as sodium, potassium, calcium, hot aluminum & magnesium; liquid ammonia; strong oxidizers.

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4.11 Skin, Eye, and Respiratory Irritations: It is an irritant to eyes, skin, & mucous membranes.
A severe skin and eye irritant.

4.12 Safety: Hazard Codes:Xn
Risk Statements:22-38-40-48/20/22
22:Harmful if swallowed
38:Irritating to the skin
40:Limited evidence of a carcinogenic effect
48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed
Safety Statements:24/25-36/37-22
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
22:Do not breathe dust
RIDADR:UN 1888 6.1/PG 3
WGK Germany:3

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4.13 Specification: white powder
Safety Statements:24/25-36/37-22
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
22:Do not breathe dust

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : Predict

IR : CCl4 solution

IR : KBr disc

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

80-97-7Total: 153 Synthesis Route

57-88-5 360 Suppliers

80-97-7 30 Suppliers

53-43-0 442 Suppliers

80-97-7 30 Suppliers

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8. Precursor and Product

precursor:

601-57-0

566-26-7

53-43-0

910-31-6

604-35-3

313-04-2

566-88-1

57-88-5

product:

20283-99-2

566-88-1

571-31-3

3381-51-9

516-95-0

10437-24-8

481-21-0

1178-00-3

9. Computed Properties

Molecular Weight：388.67g/mol
Molecular Formula：C₂₇H₄₈O
Compound Is Canonicalized：True
Exact Mass：9.4
XLogP3-AA：388.370516150
Monoisotopic Mass：388.370516150
Complexity：540
Rotatable Bond Count：5
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：28
Defined Atom Stereocenter Count：9
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAACAAAQAACAAAAA==

10.Other Information

Merck: 14,2200

BRN: 2418594

Chemical Properties: white powder

Definition: ChEBI: A cholestanoid that is (5alpha)-cholestane substituted by a beta-hydroxy group at position 3.

Purification Methods: Purify 5--cholestan-3-ol via acetylation, crystallisation and de-acetylation, then recrystallisation from EtOH or slightly aqueous EtOH, or MeOH. Its solubility is: 0.5% (MeOH) and 1% (EtOH) at 25o. [Mizutani & Whitten J Am Chem Soc 107 3621 1985.] The acetate has m 114-115o from EtOAc/MeOH and, [] D 20 +13o (c 2, CHCl3). [Bruce & Ralls Org Synth Col Vol II 191 1943, Beilstein 6 IV 3577.]

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Usage: 5alpha-Cholestan-3beta-ol is used as a standard in lipid analysis using HPLC. It acts as a derivitized steroid compound. It is used in agrochemical, pharmaceutical and dyestuff field .

体外研究: 5α-Cholestan-3β-ol is derived from cholesterol by the action of intestinal microorganisms. It is known to induce the formation of gall stones in rabbits in the presence of sodium ions. 5α-Cholestan-3β-ol is used as a standard in lipid analysis using HPLC.

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Description: Cholestanol is a cholesterol metabolite formed by oxidation and an intermediate in the biosynthesis of chenodeoxycholic acid (Item No. 10011286). Cholestanol (10 μg/ml) induces apoptosis in cornea and lens epithelial cells and increases the activity of IL-1β converting enzyme (ICE) and CPP32 proteases. Dietary administration of 1% cholestanol to mice increases serum and liver cholestanol levels and leads to corneal opacities and gallstones and in rats it leads to cholestanol deposition in the cerebellum. Cholestanol levels are increased in plasma of patients with cerebrotendinous xanthomatosis (CTX), a disease characterized by a deficiency in the mitochondrial enzyme sterol 27-hydrolylase (CYP27A1) that leads to progressive neurological symptoms.

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General Description: Cholestanol is a 5α-dihydro derivative of cholesterol. It acts as a marker for cholesterol absorption. Cholestanol is a steroid with 27 carbon atoms.

Mesh Entry Terms: 5 alpha Cholestan 3 alpha ol

11. Toltal 28 Suppliers View more

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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beta-Cholestanol (contains alpha-Cholestanol), 92%

Shanghai Forever Synthesis Co.,Ltd.

Tel: Update Time:2019/06/12

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Suzhou Industrial Park Yacoo Chemical Reagent Co., Ltd.

Tel: Update Time:2013/04/25

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shanghai longbang industry co.,ltd

Tel: Update Time:2019/02/23

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12. Related Questions

: What is the difference between Cholestanol 5alpha and 5beta? What is the isomeric relation between 5Alpha Cholestanol and 5Beta Cholestanol. I know that those forms appear after Hydrogenation of Cholesterol but unfortunately I cannot find any article or struct..

13. Realated Product Infomation

DIHYDROCHOLESTEROL-3-SULFATE SODIUMcas:56816-66-1