trans-2-Hexenyl butyrate
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Density
- 0.882–0.888 g/mL
- Boiling point
- 120 °C (at 10 Torr)
- logP
- 2.69Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation32.4% of notifiers
- H319 Causes serious eye irritation32.4% of notifiers
- H335 May cause respiratory irritation30.9% of notifiers
Aggregated from 136 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
53398-83-7SMILES
CCC/C=C/COC(=O)CCCInChIKey
PCGACKLJNBBQGM-VOTSOKGWSA-NInChI
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Butanoic acid, (2E)-2-hexen-1-yl ester
- Butanoic acid, 2-hexenyl ester, (E)-
- Butanoic acid, (2E)-2-hexenyl ester
- trans-2-Hexenyl butanoate
- (E)-2-Hexenyl butanoate
- (E)-2-Hexenyl butyrate
- (E)-Hex-2-en-1-yl butyrate
Work with trans-2-Hexenyl butyrate
Similar compounds
1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-585 % similar
(E)-2-Hexenyl hexanoate53398-86-077 % similar
Allyl butyrate2051-78-759 % similar
trans-2-Hexenyl acetate2497-18-959 % similar
Cinnamyl butyrate103-61-755 % similar
Ethyl butyrate105-54-453 % similar
Propyl butyrate105-66-853 % similar
Geranyl butyrate106-29-651 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.