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1,3-Butadiene

1,3-Butadiene structure

CAS No:
106-99-0
Formula:
C4H6
Chemical Name:
1,3-Butadiene
Synonyms:
1,3-Butadiene;Biethylene;Bivinyl;α,γ-Butadiene;Divinyl;Erythrene;Vinylethylene;Butadiene;Butadiene-1,3;130983-70-9;183592-61-2;1213224-27-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Colorless gas with a mild aromatic or gasoline-like odor. [Note: A liquid below 24°F. Shipped as a liquefied compressed gas.]

1,3-Butadiene is a simple conjugated diene with the formula C4H6. It is an important industrial chemical used as a monomer in the production of synthetic rubber. The molecule can be viewed as two vinyl groups (CH2=CH2) joined together. The word butadiene usually refers to 1,3-butadiene which has the structure H2C=CH−CH=CH2.

1,3-Butadiene Basic Attributes

Molecular Weight：

54.092

Exact Mass：

54.09

EC Number：

271-039-0

Freezing Point：

-108.91℃

Characteristics

PSA：

XLogP3：

1.99

Appearance：

Butadiene is a colorless gas with an aromatic odor. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air and a flame can flash back to the source of leak very easily. It can asphyxiate by the displacement of air. It must be shipped inhibited as butadiene is liable to polymerization. If polymerization occurs in the container, it may violently rupture. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used to make synthetic rubber and plastics, and to make other chemicals.

Density：

0.6149 g/cm³ @ Temp: 25 °C

Melting Point：

-108.966 °C

Boiling Point：

-4.5 °C @ Press: 760 Torr

Flash Point：

NA (Gas) -105°F (Liquid)

Refractive Index：

1.389

Water Solubility：

Insoluble

Storage Conditions：

0-6ºC

Vapor Pressure：

Vapour pressure, kPa at 20°C: 245

Vapor Density：

1.88

Flammability characteristics：

Flammable Gas

Explosive limit：

vol% in air: 1.16.3

Odor：

MIldly aromatic odor

Safety Information

Hazard category：

2.1

Transport codes：

UN 1010 2.1

wgk germany：

hazard class code：

R12;R45

safety instructions：

S53-S45-S62-S46-S36/37-S26-S61-S33-S16

RTECS Number：

EI9275000

Marks：

F+,T,F,N

Storage features：

Store only if stabilized. Fireproof. Cool. Keep in a well-ventilated room. Separated from incompatible materials and food and feedstuffs. See Chemical Dangers. See Physical Dangers. Refer to the manufacturer's instructions for proper storage conditions.

Stability/Shelf Life：

Stable. Extremely flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents, copper, copper alloys. May contain stabilizer.

Precautionary statement(s)：

P201-P210-P308 + P313-P410 + P403

Hazard Statements：

H220-H280-H340-H350

RIDADR：

UN 1010 2.1

Caution Statement：

P201; P210; P308 + P313; P410 + P403

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	BPX-5	400.	30.	isothermal	12. m/0.15 mm/0.25 μm, H2	Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal	Capillary	BPX-5	400.	30.	isothermal	12. m/0.15 mm/0.25 μm, H2	Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal	Capillary	CP Sil 5 CB	394.3	20.	isothermal	25. m/0.15 mm/2. μm, H2	Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary columnJ. Chromatogr.1992, 591, 1-2, 297-301.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	397.	60.	isothermal	Column length: 100. m; Column diameter: 0.5 mm	Bredael, P.Retention indices of hydrocarbons on SE-30J. Hi. Res. Chromatogr. Chromatogr. Comm.1982, 5, 6, 325-328.
Kovats' RI, non-polar column, isothermal	Capillary	Squalane	385.6	50.	isothermal		Schröder, I.H.Retention Indices of Hydrocarbons up to C14 for the Stationary Phase SqualaneJ. Hi. Res. Chromatogr. Chromatogr. Comm.1980, 3, 1, 38-44.

Computed Properties

Molecular Weight:54.09
XLogP3:2
Rotatable Bond Count:1
Exact Mass:54.0469501914
Monoisotopic Mass:54.0469501914
Heavy Atom Count:4
Complexity:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

88794-58-5

283594-49-0

29369-71-9

54509-73-8

Material

Butane

Toluene

Acetonitrile

Dichloromethane

Calcium carbide

Nitrogen

PETROLEUM ETHER

Downstream Products

2,4,4-Trimethyl-1-pentene

2-BUTANOL

Menadione

Butadiene-styrene copolymer

Acrylonitrile-butadiene-styrene copolymer

Price Analysis

Make your 1,3-Butadiene purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on 1,3-Butadiene prices .

Data: 2026-07-21
Price: 10533.33Yuan/mt
Change: 0

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