1.0
2010-04-08 22:11:53 UTC
2019-11-26 03:11:44 UTC
FDB015513
Pear ester
Constituent of odoriferous principle of Bartlett pearsand is) also present in fresh apple, Vitis subspecies, quince and spineless monkey orange (Strychnos madagasc). Flavouring agent. Pear ester is found in pomes, fruits, and pear.
2,4-Decadienoic acid, ethyl ester, (2E,4Z)-
2,4-decadienoic Acid, Ethyl Ester, (e,z)-
Ethyl (2E,4E)-2,4-decadienoate
ethyl (2E,4Z)-2,4-decadienoate
Ethyl (2E,4Z)-decadienoate
Ethyl (E,Z)-2,4-decadienoate
Ethyl (E,Z)-decadienoate
ethyl (E)-2,(Z)-4-decadienoate
Ethyl 2-trans-4-cis-decadienoate
Ethyl 2,4 (E,Z)-decadienoate
Ethyl 2,4-decadienoate
Ethyl trans-2,cis-4-decadienoate
Ethyl-deca-(2E,4Z)-dienoate
Ethyl(e,z)-decadienoate
FEMA 3148
Pear ester
C12H20O2
196.286
196.146329884
ethyl (2E,4Z)-deca-2,4-dienoate
ethyl (2E,4Z)-2,4-decadienoate
3025-30-7
CCCCC\C=C/C=C/C(=O)OCC
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
OPCRGEVPIBLWAY-QNRZBPGKSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Enoate esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Alpha,beta-unsaturated carboxylic ester
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Enoate ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
fatty acid ester
logp
4.53
logs
-4.21
solubility
1.21e-02 g/l
logp
3.96
pka_strongest_basic
-6.8
iupac
ethyl (2E,4Z)-deca-2,4-dienoate
average_mass
196.286
mono_mass
196.146329884
smiles
CCCCC\C=C/C=C/C(=O)OCC
formula
C12H20O2
inchi
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
inchikey
OPCRGEVPIBLWAY-QNRZBPGKSA-N
polar_surface_area
26.3
refractivity
61.21
polarizability
23.26
rotatable_bond_count
8
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::EiMs
126
Specdb::MsIr
7292
Specdb::MsIr
7293
Specdb::CMs
18402
Specdb::CMs
164004
Specdb::MsMs
102015
Specdb::MsMs
102016
Specdb::MsMs
102017
Specdb::MsMs
167733
Specdb::MsMs
167734
Specdb::MsMs
167735
Specdb::MsMs
2414089
Specdb::MsMs
2414090
Specdb::MsMs
2414091
Specdb::MsMs
2551070
Specdb::MsMs
2551071
Specdb::MsMs
2551072
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Fruits
Unknown
generic
Pear
Type 1
specific
Pyrus communis
23211
Pomes
Unknown
generic
apple
creamy
fruity
green
pear
sweet
tropical
waxy