cis-3-Hexenyl propionate
Properties
- Molecular formula
- C9H16O2
- Molar mass
- 156.22 g/mol
- Exact mass
- 156.1150 Da
- Boiling point
- 169 °C
- logP
- 2.30Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation19.8% of notifiers
- H319 Causes serious eye irritation19.8% of notifiers
- H335 May cause respiratory irritation19.8% of notifiers
Aggregated from 212 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
33467-74-2SMILES
CC/C=CCCOC(=O)CCInChIKey
LGTLDEUQCOJGFP-WAYWQWQTSA-NInChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 3-Hexen-1-ol, 1-propanoate, (3Z)-
- 3-Hexen-1-ol, propionate, (Z)-
- 3-Hexen-1-ol, propanoate, (Z)-
- 3-Hexen-1-ol, propanoate, (3Z)-
- cis-3-Hexenyl propanoate
- cis-Hex-3-en-1-yl propanoate
- (Z)-3-Hexenyl propionate
Work with cis-3-Hexenyl propionate
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
Similar compounds
cis-3-Hexenyl butanoate16491-36-469 % similar
cis-3-Hexenyl isovalerate35154-45-165 % similar
cis-3-Hexenyl valerate35852-46-165 % similar
(Z)-3-Hexenyl hexanoate31501-11-863 % similar
3-Hexenyl acetate1708-82-359 % similar
cis-3-Hexenyl acetate3681-71-859 % similar
cis-3-Hexenyl phenylacetate42436-07-758 % similar
cis-3-Hexenyl isobutyrate41519-23-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds