1.0
2010-04-08 22:13:00 UTC
2015-07-20 23:37:20 UTC
FDB017291
(2E,6Z)-2,6-Nonadien-1-Yl acetate
Flavouring ingredient
(2E,6Z)-Nona-2,6-dienyl acetate
1-Acetate(2e,6Z)-2,6-nonadien-1-ol
2-trans-6-cis-Nonadienyl acetate
2,6-Nonadien-1-ol, 1-acetate, (2E,6Z)-
2,6-Nonadien-1-ol, acetate, (2E,6Z)-
2,6-Nonadien-1-ol, acetate, (E,Z)-
2(e)-6(e)-Nonadienyl acetate
Acetate(2e,6Z)-2,6-nonadien-1-ol
Acetate(e,Z)-2,6-nonadien-1-ol
FEMA 3952
Nonadienyl acetate
trans-2-cis-6-Nonadienyl acetate
trans-2,cis-6-Nonadienyl acetate
trans,cis-2,6-Nonadienyl acetate
C11H18O2
182.2594
182.13067982
(2Z,6Z)-nona-2,6-dien-1-yl acetate
(2Z,6Z)-nona-2,6-dien-1-yl acetate
68555-65-7
CC\C=C/CC\C=C/COC(C)=O
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8-
UHONGPVFPQQOSO-WPAMCMATSA-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
logp
3.69
logs
-3.64
solubility
4.14e-02 g/l
logp
2.9
pka_strongest_basic
-7
iupac
(2Z,6Z)-nona-2,6-dien-1-yl acetate
average_mass
182.2594
mono_mass
182.13067982
smiles
CC\C=C/CC\C=C/COC(C)=O
formula
C11H18O2
inchi
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8-
inchikey
UHONGPVFPQQOSO-WPAMCMATSA-N
polar_surface_area
26.3
refractivity
56.37
polarizability
21.38
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7811
Specdb::MsIr
7812
Specdb::CMs
17973
Specdb::CMs
136845
Specdb::CMs
144579
Specdb::MsMs
305827
Specdb::MsMs
305828
Specdb::MsMs
305829
Specdb::MsMs
349318
Specdb::MsMs
349319
Specdb::MsMs
349320
Specdb::MsMs
2372274
Specdb::MsMs
2372275
Specdb::MsMs
2372276
Specdb::MsMs
2563515
Specdb::MsMs
2563516
Specdb::MsMs
2563517
HMDB38079
#<Reference:0x00005556755c38e0>
fatty
green
leafy
nutty