2-Hexen-1-ol

C₆H₁₂OCAS 928-95-0100.16 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.849 g/mL (at 16 °C)
Melting point: 155–156 °C
Boiling point: 157 °C
logP: 1.33Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H226 Flammable liquid and vapor97.6% of notifiers
H317 May cause an allergic skin reaction82.1% of notifiers
H319 Causes serious eye irritation85.8% of notifiers

Aggregated from 1,672 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

928-95-0

SMILES

CCC/C=C/CO

InChIKey

ZCHHRLHTBGRGOT-SNAWJCMRSA-N

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+

Weigh it out

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

Names and synonyms

14 names · show all

trans-2-Hexen-1-ol
2-Hexen-1-ol, (2E)-
2-Hexen-1-ol, (E)-
2-Hexen-1-ol, trans-
(2E)-2-Hexen-1-ol
trans-2-Hexenol
trans-4-Ethyl-2-buten-1-ol
n-Hex-trans-2-en-1-ol
(E)-2-Hexen-1-ol
(E)-2-Hexene-1-ol
1-Hydroxy-2-trans-hexene
(E)-2-Hexenol
trans-2-Hexene-1-ol
(E)-Hex-2-en-1-ol

Work with 2-Hexen-1-ol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

cis-2-Hexen-1-ol928-94-9Stereo not defined

Similar compounds

2-Heptenol33467-76-471 % similar (E)-2-Octen-1-ol18409-17-168 % similar trans-2-Nonen-1-ol31502-14-465 % similar trans-4-Octene14850-23-865 % similar cis-4-Octene7642-15-165 % similar 2-Butene-1,4-diol110-64-553 % similar cis-Butene-1,4-diol6117-80-253 % similar trans-2-Butene-1,4-diol821-11-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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