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1-BUTENE structure

1-BUTENE
1-BUTENE, with the chemical formula C4H8 and CAS registry number 106-98-9, is a compound known for its applications in various industries. This colorless gas, also referred to as alpha-Butylene, is characterized by its double bond between the first and second carbon atoms. It is commonly used as a starting material in the production of polymers, such as polyethylene and polypropylene. 1-BUTENE is also used as a fuel and as a solvent in various chemical processes. It is important to handle this compound with caution, as it is flammable and can cause irritation to the respiratory system. Overall, 1-BUTENE plays a crucial role in the manufacturing of various products and serves as a building block for many chemical reactions.
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1. Names and Identifiers
1.1 Name
1-BUTENE
1.2 Synonyms
1-butenepressuretinwith250ml(net~145g); 1-BUTYLENE; 1-C4H8; 1-N-BUTENE; alpha-Butene; alpha-Butylene; But-1-ene; Butene; Butene-1; Butylene; -Butylene; EINECS 203-449-2; MFCD00009383; n-Buten-1; N-BUTENE; n-Butylene; UNII-LY001N554L; α-butylene;
1.3 CAS No.
106-98-9
1.4 CID
7844
1.5 EINECS
203-449-2
1.6 Molecular Formula
C4H8
1.7 Inchi
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
1.8 InChkey
VXNZUUAINFGPBY-UHFFFAOYSA-N
1.9 Canonical Smiles
CCC=C
1.10 Isomers Smiles
CCC=C
2. Properties
2.1 Vapour pressure
1.93 (vs air)
2.2 VaporDensity
1.93 (vs air)
2.3 Appearance
gas
2.4 Atmospheric OH Rate Constant
3.14e-11 cm3/molecule*sec
2.5 Autoignition Temperature
723 °F (NTP, 1992)
2.6 Chemical Properties
1-Butene is a colorless, extremely flammable liquefi ed gas with an aromatic odor. It is insol uble in water and is an isomer of butane. It is highly flammable and readily forms explo sive mixtures with air. 1-Butene of high purity is made by cracking naphtha and separating it from other products by an extra-high purity distillation column. However, 1-butene is incompatible with metal salts, fl uorine, nitrogen oxides, boron trifl uoride, halogen acids, halogens, and strong oxidizing agents. It is an important organic compound in the produc tion of several industrial materials, i.e., linear low density polyethylene (LLDPE), a more fl exible and resilient polyethylene, a range of polypropylene resins, and in the production of polybutene, butylene oxide and in the C4 solvents, secondary butyl alcohol (SBA) and methyl ethyl ketone (MEK). The vapor of 1-butene is heavier than air and may travel long distances to an ignition source and fl ash back.
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2.7 Color/Form
Colorless
Gas
Colorless gas
2.8 Decomposition
When heated to decomposition it emits acrid smoke and fumes.
2.9 Heat of Combustion
-2719.1 kJ/mol at constant pressure and temp
2.10 Heat of Vaporization
20.31 kJ/mol at 298.15 K
2.11 HenrysLawConstant
0.23 atm-m3/mole
2.12 Odor
Slightly aromatic odor
2.13 Odor Threshold
69 ppb
2.14 pKa
>14 (Schwarzenbach et al., 1993)
2.15 Water Solubility
Solubility in water: none
2.16 Spectral Properties
MAX ABSORPTION (GAS): 162 NM SHOULDER (LOG E= 4.0); 175 NM (LOG E= 4.2); 187 NM (LOG E= 4.1)
IR: 7857 (Sadtler Research Laboratories Prism Collection)
NMR: 24 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Index of refraction: 1.3962 at 20 deg C/D
2.17 Stability
Stable
2.18 StorageTemp
0-10°C
2.19 Surface Tension
0.0121 dyn/cm at 298.15 K
3. Use and Manufacturing
3.1 Definition
ChEBI: A butene with unsaturation at position 1.
3.2 Description

1-BUTENE, with the chemical formula C4H8, has the CAS number 106-98-9. It is a colorless gas with a mild gasoline-like odor. The basic structure of 1-BUTENE consists of a butyl group attached to a double-bonded carbon atom. This compound is insoluble in water. 1-BUTENE is flammable and may cause irritation to the respiratory system and eyes. It should be handled with caution and stored properly to prevent accidents. The primary hazard is its flammability, and precautions should be taken to avoid ignition sources and exposure to heat or flames. In case of a spill, immediate steps should be taken to contain and clean up the chemical to prevent its release into the environment.

Applicable Fields

Polymer Production: 1-BUTENE is commonly used as a monomer in the production of polyethylene and other polymers. Its purpose in this field is to serve as a building block for the formation of long-chain hydrocarbon molecules. The mechanism of action involves the polymerization of 1-BUTENE molecules, which results in the formation of a solid polymer with various applications.

Fuel Additive: This compound can also be used as a fuel additive. Its purpose in this field is to enhance the octane rating of gasoline, which improves engine performance and reduces knocking. The mechanism of action involves the combustion of 1-BUTENE, which releases energy and contributes to the overall energy output of the fuel.

Storage

Conditions: Store in a cool and well-ventilated area, away from heat sources and open flames.

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3.3 General Description
Colorless gas.
3.4 Methods of Manufacturing
In the cracking of petroleum fraction naphtha, the content of 1-butene in the C4 component obtained by the tube furnace cracking method and the steam cracking method reaches about 35%, and 1-butene can be obtained by separating the C4 fraction.
3.5 Polymerization
The substance may polymerize.
3.6 Produe Method
Most butenes are produced in the cracking process in refineries along with other C-4 fractions such as the butanes. Butenes are separated from other compounds and each other by several methods. Isobutene is separated from normal butanes by absorption in a sulfuric acid solution. Normal butenes can be separated from butanes by fractionation. The close boiling points of butanes and butenes make straight fractional distillation an inadequate separation method, but extractive distillation can be used. Butenes can also be prepared from the dehydrogenation (elimination of hydrogen) of butane.
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3.7 Usage
Butenes are used extensively in gasoline production to produce high-octane gasoline compounds.Another large use of normal butenes in the petrochemical industry is in the production of 1,3-butadiene. Butene is used in the plastics industry to make both homopolymers and copolymers. Another use of 1-butene is in the production of solvents containing four carbons such as secondary butyl alcohol and methyl ethyl ketone (MEK).
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4. Safety and Handling
4.1 Octanol/Water Partition Coefficient
log Kow= 2.40
4.2 Fire Hazard
1-BUTENE is flammable. Vapor is heavier than air and may travel long distances to an ignition source and flash back.
4.3 Other Preventative Measures
GOOD VENTILATION WILL PREVENT FORMATION OF HARMFUL CONCN OF ... VAPORS IN WORKPLACES. /HYDROCARBONS, ALIPHATIC/
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.
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4.4 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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4.5 DOT Emergency Guidelines
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Fire or Explosion: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. ... Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Health: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Public Safety: CALL Emergency Response Telephone Number. ... As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet ) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. Always wear thermal protective clothing when handling refrigerated/cryogenic liquids.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 800 meters (1/2 mile). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 1600 meters (1 mile) in all directions; also, consider initial evacuation for 1600 meters (1 mile) in all directions.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Fire: DO NOT EXTINGUISH A LEAKING GAS FIRE UNLESS LEAK CAN BE STOPPED. ... Small fires: Dry chemical or CO2. Large fires: Water spray or fog. Move containers from fire area if you can do it without risk. Fire involving tanks: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. If possible, turn leaking containers so that gas escapes rather than liquid. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Do not direct water at spill or source of leak. Prevent spreading of vapors through sewers, ventilation systems and confined areas. Isolate area until gas has dispersed. CAUTION: When in contact with refrigerated/cryogenic liquids, many materials become brittle and are likely to break without warning.
/GUIDE 115: GASES - FLAMMABLE (INCLUDING REFRIGERATED LIQUIDS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Clothing frozen to the skin should be thawed before being removed. In case of contact with liquefied gas, thaw frosted parts with lukewarm water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim warm and quiet. 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
FIRE PREVENTION: TO REDUCE THE LIKELIHOOD OF ACCIDENTAL LEAKAGE ... RESERVE VALVES & AUTOMATIC CLOSURE DEVICES SHOULD BE PROVIDED ... SOURCES OF IGNITION SHOULD BE PREVENTED & FIRE-FIGHTING EQUIPMENT SHOULD BE PROVIDED. /HYDROCARBONS, ALIPHATIC/
4.7 FirePotential
... Flammable gas.
Very dangerous fire hazard when exposed to heat, flame, or oxidizers.
4.8 Formulations/Preparations
Grades: Technical, 95%, CP 99%; Research 99.4%.
4.9 Protective Equipment and Clothing
It ... is mildly irritating to the eye.
4.10 Reactivities and Incompatibilities
Mixtures with aluminum tetrahydroborate explode after an induction period.
4.11 Skin, Eye, and Respiratory Irritations
It ... is mildly irritating to the eye.
4.12 Safety
Hazard Codes:F+,F
Risk Statements:12
12:Extremely Flammable
Safety Statements:9-16-33
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
33:Take precautionary measures against static discharges
RIDADR:UN 1012 2.1
WGK Germany:-
HazardClass:2.1
Hazard Note:Extremely Flammable
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4.13 Specification

Safety Statements:9-16-33
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
33:Take precautionary measures against static discharges
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

Flammable gases, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas
Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

Storage

P410+P403 Protect from sunlight. Store in a well-ventilated place.

P403 Store in a well-ventilated place.

Disposal

none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
Predict 1H proton NMR  
Mass spectrum (electron ionization)  
UV/Visible spectrum  
7. Synthesis Route
106-98-9Total: 457 Synthesis Route
 
71-36-3
71-36-3 61 Suppliers
 
106-98-9
106-98-9 47 Suppliers
 
107-01-7
107-01-7 17 Suppliers
 
78-92-2
78-92-2 109 Suppliers
 
106-98-9
106-98-9 47 Suppliers
 
107-01-7
107-01-7 17 Suppliers
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8. Precursor and Product
precursor:
78-92-2
78-92-2
78-76-2
78-76-2
71-36-3
71-36-3
78-86-4
78-86-4
product:
78-92-2
78-92-2
616-21-7
616-21-7
106-99-0
106-99-0
75-65-0
75-65-0
78-76-2
78-76-2
71-36-3
71-36-3
87-68-3
87-68-3
108-31-6
108-31-6
106-88-7
106-88-7
107-01-7
107-01-7
9. Computed Properties
10.Other Information
Merck
14,1519
BRN
1098262
Description
1-Butene is a colourless, stable but polymerises exothermically, extremely flammable liquefied gas with an aromatic odour. It is insoluble in water and is one of the isomers of butane. 1-Butene readily forms explosive mixtures with air. It is incompatible with strong oxidising agents, halogens, halogen acids, metal salts, boron trifluoride, fluorine, and nitrogen oxides. 1-Butene of high purity is made by cracking naphtha and separating it from other products by an extra-high-purity distillation column. It is an important organic compound in the production of several industrial materials – for instance, linear low-density polyethylene (LLDPE), a more flexible and resilient polyethylene, and a range of polypropylene resins – and in the production of polybutene, butylene oxide, and the C4 solvents secondary butyl alcohol (SBA) and MEK. The vapour of 1-butene is heavier than air and may travel long distances to an ignition source and flash back.
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Chemical Properties
1-Butene is a colorless, extremely flammable liquefi ed gas with an aromatic odor. It is insol uble in water and is an isomer of butane. It is highly flammable and readily forms explo sive mixtures with air. 1-Butene of high purity is made by cracking naphtha and separating it from other products by an extra-high purity distillation column. However, 1-butene is incompatible with metal salts, fl uorine, nitrogen oxides, boron trifl uoride, halogen acids, halogens, and strong oxidizing agents. It is an important organic compound in the produc tion of several industrial materials, i.e., linear low density polyethylene (LLDPE), a more fl exible and resilient polyethylene, a range of polypropylene resins, and in the production of polybutene, butylene oxide and in the C4 solvents, secondary butyl alcohol (SBA) and methyl ethyl ketone (MEK). The vapor of 1-butene is heavier than air and may travel long distances to an ignition source and fl ash back.
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Physical properties
Butenes or butylenes are hydrocarbon alkenes that exist as four different isomers. Each isomer is a flammable gas at normal room temperature and one atmosphere pressure, but their boiling points indicate that butenes can be condensed at low ambient temperatures and/or increase pressure similar to propane and butane. The “2” designation in the names indicates the position of the double bond. The cis and trans labels indicate geometric isomerism. Geometric isomers are molecules that have similar atoms and bonds but different spatial arrangement of atoms. The structures indicate that three of the butenes are normal butenes, n-butenes, but that methylpropene is branched. Methylpropene is also called isobutene or isobutylene. Isobutenes are more reactive than n-butenes, and reaction mechanisms involving isobutenes differ from those of normal butenes.
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Uses
Butenes are used extensively in gasoline production to produce high-octane gasoline compounds.Another large use of normal butenes in the petrochemical industry is in the production of 1,3-butadiene. Butene is used in the plastics industry to make both homopolymers and copolymers. Another use of 1-butene is in the production of solvents containing four carbons such as secondary butyl alcohol and methyl ethyl ketone (MEK).
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Production Methods
Most butenes are produced in the cracking process in refineries along with other C-4 fractions such as the butanes. Butenes are separated from other compounds and each other by several methods. Isobutene is separated from normal butanes by absorption in a sulfuric acid solution. Normal butenes can be separated from butanes by fractionation. The close boiling points of butanes and butenes make straight fractional distillation an inadequate separation method, but extractive distillation can be used. Butenes can also be prepared from the dehydrogenation (elimination of hydrogen) of butane.
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Definition
ChEBI: A butene with unsaturation at position 1.
General Description
Colorless gas.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
The unsaturated aliphatic hydrocarbons, such as 1-BUTENE, are generally much more reactive than the alkanes. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. In the presence of various catalysts (such as acids) or initiators, compounds in this class can undergo very exothermic addition polymerization reactions. May react with oxidizing materials. Aluminum borohydride reacts with alkenes and in the presence of oxygen, combustion is initiated even in the absence of moisture.
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Health Hazard
Exposures to 1-butene cause the effects of an asphyxiant and/or an anesthetic (at high concentrations). Workers exposed to 1-butene develop eye irritation.
Fire Hazard
1-BUTENE is flammable. Vapor is heavier than air and may travel long distances to an ignition source and flash back.
Source
In exhaust of gasoline-powered engines (1.8 vol % of total exhaust hydrocarbons) (quoted, Verschueren, 1983). Detected in California Phase II reformulated gasoline at a concentration of 170 mg/kg (Schauer et al., 2002).
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of 1-butene was 90.7 mg/kg of pine burned. Emission rates of 1-butene were not measured during the combustion of oak and eucalyptus.
Reported as an impurity (0.1 wt %) in 99.4 wt % trans-2-butene (Chevron Phillips, 2004).
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Environmental fate
Biological. Biooxidation of 1-butene may occur yielding 3-buten-1-ol, which may oxidize to give 3-butenoic acid (Dugan, 1972). Washed cell suspensions of bacteria belonging to the genera Mycobacterium, Nocardia, Xanthobacter, and Pseudomonas and growing on selected alkenes metabolized 1-butene to 1,2-epoxybutane (Van Ginkel et al., 1987).
Photolytic. Products identified from the photoirradiation of 1-butene with nitrogen dioxide in air are epoxybutane, 2-butanone, propanal, ethanol, ethyl nitrate, carbon monoxide, carbon dioxide, methanol, and nitric acid (Takeuchi et al., 1983).
The following rate constants were reported for the reaction of 1-butene and OH radicals in the atmosphere: 1.0 x 10-17 cm3/molecule?sec (Bufalini and Altshuller, 1965); 2.70 x 10-11 cm3/molecule?sec (Atkinson et al., 1979); 3.14 x 10-11 cm3/molecule?sec (Atkinson, 1990; Sablji? and Güsten, 1990). Reported photooxidation reaction rate constants for the reaction of 1-butene and ozone are 1.23 x 10-17, 1.0 x 10-17, 1.03 x 10-17 cm3/molecule?sec (Adeniji et al., 1981). Based on the reaction of 1-butene and OH radicals gas phase, the atmospheric lifetime was estimated to be 5.5 h in summer sunlight.
Chemical/Physical. Complete combustion in air yields carbon dioxide and water. Incomplete combustion will generate carbon monoxide.
Hydrolysis in water is not expected to be signicant because 1-butene is very volatile.
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Precautions
When working with 1-butene, occupational workers should wear proper protectives, preferably a NIOSH-approved full-face positive pressure supplied-air respirator or a self contained breathing apparatus (SCBA). Workers should not wear contact lenses.
Storage features
Fireproof. Cool. Ventilation along the floor.
11. Toltal 42 Suppliers View more
106-98-9 1-BUTENE
Henan Tianfu Chemical Co.,Ltd
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1-BUTENE
Hebei Crovell Biotech Co. Ltd
 1YR   China
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1-BUTENE
Shanghai Hope Chem Co., Ltd.
  China
Tel: Update Time:2018/11/21
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α-Butene
Hangzhou Yunuo Chemical Co.,Ltd
China
Tel: Update Time:2019/02/25
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1-BUTENE
Pure Chemistry Scientific Inc.
United States
Tel: Update Time:2019/02/25
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12. Related Questions
Is 1-BUTENE a Highly Flammable Gas? How Does it Affect Our Health?1-BUTENE is a highly flammable and compressible gas that is difficult to dissolve in water but easily soluble in alcohols, ethers, and other organic solvents. It is heavier than air and can flow along..
What is 1-Butene and its Applications?1-Butene, also known as 1-BUTENE, is an organic compound with the structural formula CH3CH2CH=CH2. It is a highly flammable and compressible gas. While 1-Butene is insoluble in water, it is soluble in..
Can 1-BUTENE Isomerization Solve the Shortage of Isobutene?Isobutene is a highly valuable compound and an important raw material for manufacturing other compounds. Currently, the resources of isobutene are far from meeting the demands of economic development...
13. 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 42 Suppliers
12. Related Questions
13. Realated Product Infomation
 
 
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