(2E,4E)-2,4-Heptadien-1-ol
Properties
- Molecular formula
- C7H12O
- Molar mass
- 112.17 g/mol
- Exact mass
- 112.0888 Da
- Boiling point
- 96–98 °C (at 18 Torr)
- logP
- 1.50Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
- Double bonds
- E, EE/Z, in SMILES order
Hazards
Danger
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H350 May cause cancer20% of notifiers
- H360 May damage fertility or the unborn child20% of notifiers
- H362 May cause harm to breast-fed children20% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure20% of notifiers
- H411 Toxic to aquatic life with long lasting effects20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P263, P264, P264+P265, P270, P273, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
33467-79-7SMILES
CC/C=C/C=C/COInChIKey
MDRZSADXFOPYOC-VNKDHWASSA-NInChI
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2,4-Heptadien-1-ol, (2E,4E)-
- 2,4-Heptadien-1-ol, (E,E)-
- (2E,4E)-Heptadienol
- (E,E)-Hepta-2,4-dien-1-ol
Work with (2E,4E)-2,4-Heptadien-1-ol
Similar compounds
cis-2-Penten-1-ol1576-95-068 % similar
2,4-Hexadien-1-ol111-28-457 % similar
(2E,4E)-2,4-Hexadien-1-ol17102-64-657 % similar
2,4-Decadien-1-ol14507-02-950 % similar
2,4-Heptadienal4313-03-546 % similar
2,4-Heptadienal5910-85-046 % similar
2-Butene-1,4-diol110-64-544 % similar
3-Hexene592-47-244 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.