3-Hexen-1-ol
Properties
- Molecular formula
- C6H12O
- Molar mass
- 100.16 g/mol
- Exact mass
- 100.0888 Da
- Density
- 0.8442 g/mL (at 24 °C)
- Melting point
- 129–130 °C
- Boiling point
- 156.5 °C
- logP
- 1.33Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor90.6% of notifiers
- H319 Causes serious eye irritation17% of notifiers
Aggregated from 265 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
544-12-7SMILES
CCC=CCCOInChIKey
UFLHIIWVXFIJGU-UHFFFAOYSA-NInChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 1-Hydroxy-3-hexene
- β-γ-Hexenol
Work with 3-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.
Similar compounds
(Z)-5-Octen-1-ol64275-73-668 % similar
cis-6-Nonen-1-ol35854-86-565 % similar
cis-3-Octen-1-ol20125-84-257 % similar
(Z)-3-Nonen-1-ol10340-23-554 % similar
3-Hexene592-47-253 % similar
trans-3-Heptene14686-14-752 % similar
cis-2-Penten-1-ol1576-95-052 % similar
cis-3-Heptene7642-10-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.