1.0
2010-04-08 22:12:15 UTC
2018-05-29 01:24:47 UTC
FDB016121
Oleyl acetate
It is used as a food additive
9-Octadecen-1-ol, acetate, (Z)-
9-Octadecen-1-yl acetate
9Z-Octadecen-1-yl acetate
Acetate(Z)-9-octadecen-1-ol
Acetic acid oleyl ester
Acetic acid, 9-octadecenyl ester
Acetic acid, oleyl ester
Oleyl acetate
Z-9-Octadecen-1-ol acetate
C20H38O2
310.5145
310.28718046
(9E)-octadec-9-en-1-yl acetate
(9E)-octadec-9-en-1-yl acetate
693-80-1
CCCCCCCC\C=C\CCCCCCCCOC(C)=O
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+
GYGAZRPDUOHMAF-ZHACJKMWSA-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
Wax monoesters
logp
8.31
logs
-7.23
solubility
1.84e-05 g/l
logp
7.11
pka_strongest_basic
-7
iupac
(9E)-octadec-9-en-1-yl acetate
average_mass
310.5145
mono_mass
310.28718046
smiles
CCCCCCCC\C=C\CCCCCCCCOC(C)=O
formula
C20H38O2
inchi
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+
inchikey
GYGAZRPDUOHMAF-ZHACJKMWSA-N
polar_surface_area
26.3
refractivity
96.82
polarizability
41.97
rotatable_bond_count
17
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
16358
Specdb::CMs
151199
Specdb::MsMs
302200
Specdb::MsMs
302201
Specdb::MsMs
302202
Specdb::MsMs
344875
Specdb::MsMs
344876
Specdb::MsMs
344877
Specdb::MsMs
2374907
Specdb::MsMs
2374908
Specdb::MsMs
2374909
Specdb::MsMs
2560773
Specdb::MsMs
2560774
Specdb::MsMs
2560775
HMDB37127
#<Reference:0x0000555675b83fa0>
fatty