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TRIMETHYLOLPROPANE PHOSPHITE structure

TRIMETHYLOLPROPANE PHOSPHITE
  • CAS：824-11-3
  • MW:162.12
  • MF：C6H11O3P
A solid.
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1. Names and Identifiers
1.1 Name
TRIMETHYLOLPROPANE PHOSPHITE
1.2 Synonyms
1,1,1-Trishydroxymethylpropane bicyclic phosphite; 1,1,1-trishydroxymethylpropanebicyclicphosphite; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphite; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphite (1:1); 1-Ethyl-3,5,8-trioxa-4-phospha[2.2.2]bicyclooctane; 2-(Hydroxymethyl)-2-ethyl-1,3-propanediol, cyclic phosphite (1:1); 2-(hydroxymethyl)-2-ethyl-1,3-propanediol,cyclicphosphite(1:1); 2,6,7-trioxa-1-phosphabicyclo(2,2,2)octane,4-ethyl-[qr]; 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-; 2-Ethyl-2-hydroxymethyl-1,3-propanediol cyclic phosphite; 3-propanediol,(2-ethyl-2-(hydroxymethyl)-cyclicphosphite[qr]; 4-Ethyl-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane; 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane; Ethriol phosphite; ETPB; NSC 127561; Trimethylolpropane cyclic phosphite (1:1);
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1.3 CAS No.
824-11-3
1.4 CID
13210
1.5 EINECS
212-523-3
1.6 Molecular Formula
C6H11O3P
1.7 Inchi
InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3
1.8 InChkey
QRUSNTDXJQBKBI-UHFFFAOYSA-N
1.9 Canonical Smiles
CCC12COP(OC1)OC2
1.10 Isomers Smiles
CCC12COP(OC1)OC2
2. Properties
2.1 Appearance
Trimethylolpropane phosphite appears as a solid. (EPA, 1998)
3. Use and Manufacturing
3.1 Description

TRIMETHYLOLPROPANE PHOSPHITE is a solid. (EPA, 1998)


Trimethylolpropane phosphite appears as a solid. (EPA, 1998)


Trimethylolpropane phosphite appears as a solid. (EPA, 1998)

3.2 General Description
A solid.
4. Safety and Handling
4.1 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
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4.2 Report

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

4.3 Safety

Poison by ingestion, inhalation, skin contact, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic fumes of POx.Safety information of Trimethylolpropane phosphite (CAS NO.824-11-3):
Hazard Codes  VeryT+
Risk Statements 
21 Harmful in contact with skin
28 Very Toxic if swallowed
Safety Statements 
28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36/37 Wear suitable protective clothing and gloves
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR  UN 3464 6.1/PG 2
WGK Germany  3
RTECS  TY6650000
F  10-18
HazardClass  6.1(a)
PackingGroup  I

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4.4 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 2500ug/kg (2.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
chicken LD50 oral 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
dog LD50 oral 5mg/kg (5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
guinea pig LD50 oral 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
hamster LD50 oral 8mg/kg (8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
mouse LD50 intraperitoneal 1100ug/kg (1.1mg/kg)   Chemical & Engineering News. Vol. 52(1), Pg. 56, 1974.
mouse LD50 oral 3320ug/kg (3.32mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
mouse LD50 skin 4mg/kg (4mg/kg)   Science. Vol. 182, Pg. 1135, 1973.
mouse LDLo intravenous 1mg/kg (1mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 207, 1978.
quail LD50 oral 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rabbit LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LCLo inhalation 10ppm/4H (10ppm) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 British Journal of Industrial Medicine. Vol. 27, Pg. 1, 1970.
rat LD50 intraperitoneal 1020ug/kg (1.02mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LD50 oral 8390ug/kg (8.39mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LD50 skin 929mg/kg (929mg/kg)   Archives of Toxicology. Vol. 35, Pg. 149, 1976.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H311 Toxic in contact with skin
Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : in CDCl3  
1H NMR : 90 MHz in CDCl3  
IR : liquid film  
Raman : 4880 A,200 M,powder  
Mass  
Mass spectrum (electron ionization)  
7. Synthesis Route
824-11-3Total: 2 Synthesis Route
 
77-99-6
77-99-6 249 Suppliers
 
824-11-3
824-11-3 17 Suppliers
 
77-99-6
77-99-6 249 Suppliers
 
122-52-1
122-52-1 25 Suppliers
 
824-11-3
824-11-3 17 Suppliers
8. Precursor and Product
precursor:
77-99-6
77-99-6
122-52-1
122-52-1
product:
935-52-4
935-52-4
1005-93-2
1005-93-2
63372-08-7
63372-08-7
9. Computed Properties
  • Molecular Weight：162.12g/mol
  • Molecular Formula：C6H11O3P
  • Compound Is Canonicalized：True
  • Exact Mass：0.6
  • XLogP3-AA：162.04458121
  • Monoisotopic Mass：162.04458121
  • Complexity：117
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：3
  • Topological Polar Surface Area：27.7
  • Heavy Atom Count：：10
  • Defined Atom Stereocenter Count：0
  • 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：AAADccBgMAIAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAGgAAACAADgCggAICAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAAAAAAAAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10.Other Information
Reactive Group
Sulfonates, Phosphonates, and Thiophosphonates, Organic
Reactivity Profile
TRIMETHYLOLPROPANE PHOSPHITE is a phosphite ester. May react with strong reducing agents such as hydrides to form highly toxic and flammable phosphine, a gas. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
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Special Reports
USEPA; Chemical Profile: Trimethylpropane phosphite (1985). Chemical safety information sheet.
Fire Hazards
Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. (ERG, 2016)
Nonfire Spill Response
Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: 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. Cover with plastic sheet to prevent spreading. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)
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Personal Protective Equipment
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
First Aid
Signs and Symptoms of Trimethylolpropane Phosphite Exposure: Signs and symptoms of acute exposure to trimethylolpropane phosphite may include hyperactivity followed by central nervous system depression, listlessness, twitching, and convulsions. Eye irritation and gastrointestinal tract irritation may also be observed. Emergency Life-Support Procedures: Acute exposure to trimethylolpropane phosphite may require decontamination and life support for the victims. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination. Inhalation Exposure: 1. Move victims to fresh air. Emergency personnel should avoid self-exposure to trimethylolpropane phosphite. 2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 3. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 4. Transport to a health care facility. Dermal/Eye Exposure: 1. Remove victims from exposure. Emergency personnel should avoid self-exposure to trimethylolpropane phosphite. 2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 3. Remove contaminated clothing as soon as possible. 4. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes. 5. Wash exposed skin areas thoroughly with soap and water. 6. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 7. Transport to a health care facility. Ingestion Exposure: 1. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 2. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures. 3. DO NOT induce vomiting. 4. Transport to a health care facility. (EPA, 1998)
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Human Toxicity Excerpts
Trimethylolpropane phosphite ... is an extremely toxic material which can cause human clonic-tonic convulsions and death. ...
Mesh Entry Terms
EPTBO
Manufacturing Info
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-: ACTIVE
11. Toltal 16 Suppliers View more
1,1,1-Trishydroxymethylpropane bicyclic phosphite
Hangzhou Dingyan Chem Co.,Ltd
 1YR   China
Tel: Update Time:2024/11/15
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Trimethylolpropane Phosphite
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
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Trimethylolpropane Phosphite , 94%
Shanghai Forever Synthesis Co.,Ltd.
  China
Tel: Update Time:2019/06/12
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4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Chenxin Pharmaceutical Co., Ltd.
China
Tel: Update Time:2019/04/01
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TRIMETHYLOLPROPANE PHOSPHITE
Prime Organics, Inc.
United States
Tel: Update Time:2019/11/25
inquire
12. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Other Information
11. Toltal 16 Suppliers
12. Realated Product Infomation
 
 
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