(Z)-3-Hexenyl hexanoate
Properties
- Molecular formula
- C12H22O2
- Molar mass
- 198.31 g/mol
- Exact mass
- 198.1620 Da
- Density
- 0.87–0.89 g/mL
- logP
- 3.47Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation19.4% of notifiers
- H319 Causes serious eye irritation19.4% of notifiers
- H335 May cause respiratory irritation19.4% of notifiers
Aggregated from 216 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
31501-11-8SMILES
CC/C=CCCOC(=O)CCCCCInChIKey
RGACQXBDYBCJCY-ALCCZGGFSA-NInChI
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Hexanoic acid, (3Z)-3-hexen-1-yl ester
- Hexanoic acid, 3-hexenyl ester, (Z)-
- Hexanoic acid, (3Z)-3-hexenyl ester
- cis-3-Hexenyl caproate
- cis-3-Hexenyl hexanoate
- cis-3-Hexen-1-yl caproate
- cis-Hex-3-en-1-yl hexanoate
- (Z)-3-Hexen-1-yl hexanoate
- Leaf hexanoate
- 3-Hexenyl hexanoate, (3Z)-
Work with (Z)-3-Hexenyl hexanoate
Similar compounds
cis-3-Hexenyl valerate35852-46-191 % similar
cis-3-Hexenyl butanoate16491-36-479 % similar
Butyl oleate142-77-871 % similar
Decyl oleate3687-46-571 % similar
Methoxyethyl oleate111-10-464 % similar
Polyethylene glycol monooleate9004-96-064 % similar
Pentyl hexanoate540-07-864 % similar
Propyl hexanoate626-77-764 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.