1.0
2010-04-08 22:05:46 UTC
2019-11-26 02:59:00 UTC
FDB003347
2-Octenyl acetate
Present in banana. Flavouring agent. 2-Octenyl acetate is found in fruits.
(e)-2-Octenyl acetate
(E)-Oct-2-enyl acetate
2-Octen-1-ol, 1-acetate
2-Octen-1-ol, acetate
2-Octen-1-ol, acetate, (E)-
2-Octen-1-yl acetate
2-Octen-1-yl acetate, trans-
2-Octenyl acetate
2-Octenyl acetate, (E)-
2-Octenyl acetate, trans-
Acetate(e)-2-octen-1-ol
E-2-Octenyl acetate
FEMA 3516
Oct-2-enyl acetate
trans-2-Octen-1-yl acetate
trans-2-Octenyl acetate
C10H18O2
170.2487
170.13067982
(2Z)-oct-2-en-1-yl acetate
(2Z)-oct-2-en-1-yl acetate
3913-80-2
CCCCC\C=C/COC(C)=O
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-
MBRLTLPMVMFRTJ-FPLPWBNLSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Liquid
logp
3.91
logs
-3.40
solubility
6.73e-02 g/l
logp
2.82
pka_strongest_basic
-7
iupac
(2Z)-oct-2-en-1-yl acetate
average_mass
170.2487
mono_mass
170.13067982
smiles
CCCCC\C=C/COC(C)=O
formula
C10H18O2
inchi
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-
inchikey
MBRLTLPMVMFRTJ-FPLPWBNLSA-N
polar_surface_area
26.3
refractivity
50.65
polarizability
20.39
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21464
Specdb::CMs
136864
Specdb::CMs
144598
Specdb::MsIr
4313
Specdb::MsIr
4314
Specdb::MsMs
313744
Specdb::MsMs
313745
Specdb::MsMs
313746
Specdb::MsMs
359302
Specdb::MsMs
359303
Specdb::MsMs
359304
Specdb::MsMs
2706194
Specdb::MsMs
2706195
Specdb::MsMs
2706196
Specdb::MsMs
2999173
Specdb::MsMs
2999174
Specdb::MsMs
2999175
HMDB31297
#<Reference:0x0000555674d40308>
Fruits
Unknown
generic
aldehydic
earthy
green
melon
pear
tropical