Methallyl alcohol

C₄H₈OCAS 513-42-872.11 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₄H₈O
Molar mass: 72.11 g/mol
Exact mass: 72.0575 Da
Density: 0.8524 g/mL (at 20 °C)
Melting point: 113–115 °C
Boiling point: 112–114 °C
Flash point: 33.3 °C
logP: 0.55Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor95.6% of notifiers
H315 Causes skin irritation92.3% of notifiers
H319 Causes serious eye irritation92.3% of notifiers
H335 May cause respiratory irritation91.2% of notifiers

Aggregated from 91 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, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

513-42-8

SMILES

C=C(C)CO

InChIKey

BYDRTKVGBRTTIT-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3

Weigh it out

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

Names and synonyms

15 names · show all

2-Propen-1-ol, 2-methyl-
2-Methyl-2-propen-1-ol
Isopropenyl carbinol
2-Methylallyl alcohol
3-Hydroxy-2-methylpropene
Isobutenol
Methacryl alcohol
β-Methylallyl alcohol
2-Methylprop-1-en-3-ol
2-Methyl-2-propenol
2-Methallyl alcohol
β-Methallyl alcohol
2-Methyl-3-hydroxy-1-propene
NSC 30674
NSC 404204

Work with Methallyl alcohol

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

Isoprenol763-32-652 % similar 2,5-Dimethyl-1,5-hexadiene627-58-750 % similar 2-Methyl-1-butene563-46-245 % similar Methallyl bromide1458-98-643 % similar Methallyl chloride563-47-343 % similar Poly(ethylene glycol) mono(2-methylallyl) ether31497-33-342 % similar 2-Methylene-1,3-propanediol3513-81-342 % similar 2-Methyl-1-pentene763-29-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook