1,2-Butadiene

C₄H₆CAS 590-19-254.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆
Molar mass: 54.09 g/mol
Exact mass: 54.0470 Da
Density: 0.676 g/mL (at 0 °C)
Melting point: −136.2 °C
Boiling point: 10.9 °C
Water solubility: miscible
logP: 1.35Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H220 Extremely flammable gas89.3% of notifiers
H224 Extremely flammable liquid and vapor10.7% of notifiers
H280 Contains gas under pressure; may explode if heated100% of notifiers
H411 Toxic to aquatic life with long lasting effects10.7% of notifiers

Aggregated from 346 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P222, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P377, P381, P391, P403, P403+P235, P410+P403, P501

Identifiers

CAS number

590-19-2

SMILES

C=C=CC

InChIKey

QNRMTGGDHLBXQZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

Allene, methyl-
Methylallene
1-Methylallene
Butadiene-1,2

Work with 1,2-Butadiene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Butadiene106-99-0 1-Butyne107-00-6 Bicyclobutane157-33-5 1-Methylcyclopropene3100-04-7 2-Butyne503-17-3 Cyclobutene822-35-5

Elsewhere

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