2,4-Hexadien-1-ol

C₆H₁₀OCAS 111-28-498.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.8967 g/mL (at 23 °C)
Melting point: 30.5 °C
Boiling point: 77–78 °C
logP: 1.11Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed99.2% of notifiers
H311 Toxic in contact with skin99.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation99.6% of notifiers

Aggregated from 261 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

111-28-4

SMILES

CC=CC=CCO

InChIKey

MEIRRNXMZYDVDW-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3

Weigh it out

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

Names and synonyms

5 names

Hexacose
Hexakose
1-Hydroxy-2,4-hexadiene
n-Hex-2,4-dien-1-ol
2,4-Hexadienol

Work with 2,4-Hexadien-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.

(2E,4E)-2,4-Hexadien-1-ol17102-64-6Defined stereoisomer

Similar compounds

Crotyl alcohol6117-91-561 % similar (2E,4E)-2,4-Heptadien-1-ol33467-79-757 % similar 2-Butene-1,4-diol110-64-547 % similar cis-Butene-1,4-diol6117-80-247 % similar trans-2-Butene-1,4-diol821-11-447 % similar 2,4-Decadien-1-ol14507-02-946 % similar Codlemone33956-49-946 % similar Trans,trans-2,4-Hexadiene5194-51-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2-Methylcyclopentanone1120-72-5 (2R)-2-(3-Buten-1-yl)oxirane137688-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook