(2E,4E)-2,4-Hexadien-1-ol

C₆H₁₀OCAS 17102-64-698.14 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.884 g/mL (at 18 °C)
Melting point: 30.5 °C
Boiling point: 76–77 °C (at 12 Torr)
logP: 1.11Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Double bonds: E, EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin85.7% of notifiers
H315 Causes skin irritation95.9% of notifiers
H318 Causes serious eye damage95.9% of notifiers
H335 May cause respiratory irritation10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17102-64-6

SMILES

C/C=C/C=C/CO

InChIKey

MEIRRNXMZYDVDW-MQQKCMAXSA-N

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+

Weigh it out

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

Names and synonyms

10 names

2,4-Hexadien-1-ol, (2E,4E)-
2,4-Hexadien-1-ol, (E,E)-
trans-2,4-Hexadienol
Trans,trans-2,4-Hexadien-1-ol
Sorbic alcohol
Sorbinic alcohol
Sorbyl alcohol
Sorbinol
(E,E)-2,4-Hexadien-1-ol
(2E,4E)-Hexa-2,4-dien-1-ol

Work with (2E,4E)-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 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.

2,4-Hexadien-1-ol111-28-4Stereo not defined

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook