2-Methyl-1-buten-3-yne
Properties
- Molecular formula
- C5H6
- Molar mass
- 66.10 g/mol
- Exact mass
- 66.0470 Da
- Density
- 0.7064 g/mL (at 20 °C)
- Melting point
- −113 °C
- Boiling point
- 32 °C
- logP
- 1.20Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H224 Extremely flammable liquid and vapor95.7% of notifiers
- H302 Harmful if swallowed97.9% of notifiers
- H304 May be fatal if swallowed and enters airways93.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.9% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 47 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, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
78-80-8SMILES
C#CC(=C)CInChIKey
BOFLDKIFLIFLJA-UHFFFAOYSA-NInChI
InChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1-Buten-3-yne, 2-methyl-
- Isopropenylacetylene
- 3-Methyl-3-buten-1-yne
- 2-Methyl-1-butene-3-yne
- 2-Methylbutenyne
- 2-Methyl-1-butenyne
- Valylene
- NSC 9296
- 3-Methyl-3-butene-1-yne
- 2-Methyl-1-buten-1-yne
Work with 2-Methyl-1-buten-3-yne
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