3-Methyl-1,2-butadiene
Properties
- Molecular formula
- C5H8
- Molar mass
- 68.12 g/mol
- Exact mass
- 68.0626 Da
- Density
- 0.6913 g/mL (at 3.6 °C)
- Melting point
- −113.6 °C
- Boiling point
- 40.83 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
598-25-4SMILES
C=C=C(C)CInChIKey
PAKGDPSCXSUALC-UHFFFAOYSA-NInChI
InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1,2-Butadiene, 3-methyl-
- 1,1-Dimethylallene
- 2-Methyl-2,3-butadiene
- 1,1-Dimethylallylene
- 3,3-Dimethylallene
- NSC 74117
- 1,1-Dimethylpropadiene
- 1,1-Dimethyl-1,2-propadiene
Work with 3-Methyl-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
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds