1.0
2010-04-08 22:14:12 UTC
2019-11-26 03:17:14 UTC
FDB019204
Ethyl crotonate
Component of strawberry aroma, guava fruit and peel (Psidium guajava), pineapple, yellow passion fruit and other fruitsand is) also present in white wine and mussels. Flavouring ingredient. Ethyl crotonate is found in alcoholic beverages, mollusks, and fruits.
(E)-2-Butenoic acid ethyl ester
(e)-alpha-Crotonic acid ethyl ester
(E)-CH3CH=CHCOOC2H5
(e)-Ethyl 2-butenoate
α-crotonic acid ethyl ester
2-Butenoic acid, ethyl ester, (2E)-
2-Butenoic acid, ethyl ester, (E)-
2-Butenoic acid, ethyl ester, (E)- (9CI)
alpha -Crotonic acid ethyl ester
Alpha-crotonic acid ethyl ester, (e)-
Crotonic acid ethyl ester
Crotonic acid, ethyl ester
Crotonic acid, ethyl ester, (e)-
Ethyl (2E)-2-butenoate
ethyl (2E)-but-2-enoate
ethyl (E)-2-butenoate
Ethyl (e)-crotonate
Ethyl 2-butenoate, (E)-
Ethyl crotonate
Ethyl crotonate (e)
Ethyl crotonate [UN1862] [Flammable liquid]
Ethyl ester(2e)-2-butenoic acid
Ethyl ester(e)-2-butenoic acid
Ethyl ester(e)-crotonic acid
Ethyl trans-crotonate
Ethylester kyseliny krotonove
FEMA 3486
trans-2-Butenoic Acid ethyl ester
C6H10O2
114.1424
114.068079564
ethyl (2Z)-but-2-enoate
ethyl (2Z)-but-2-enoate
623-70-1
CCOC(=O)\C=C/C
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
ZFDIRQKJPRINOQ-HYXAFXHYSA-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
but-2-enoate ester
logp
1.70
ALOGPS
logs
-1.09
ALOGPS
solubility
9.25e+00 g/l
ALOGPS
logp
1.66
ChemAxon
pka_strongest_basic
-6.8
ChemAxon
iupac
ethyl (2Z)-but-2-enoate
ChemAxon
average_mass
114.1424
ChemAxon
mono_mass
114.068079564
ChemAxon
smiles
CCOC(=O)\C=C/C
ChemAxon
formula
C6H10O2
ChemAxon
inchi
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
ChemAxon
inchikey
ZFDIRQKJPRINOQ-HYXAFXHYSA-N
ChemAxon
polar_surface_area
26.3
ChemAxon
refractivity
32.48
ChemAxon
polarizability
12.35
ChemAxon
rotatable_bond_count
3
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::MsIr
8190
Specdb::MsIr
8191
Specdb::CMs
15725
Specdb::CMs
159239
Specdb::NmrOneD
33902
Specdb::NmrOneD
33903
Specdb::NmrOneD
33904
Specdb::NmrOneD
33905
Specdb::NmrOneD
33906
Specdb::NmrOneD
33907
Specdb::NmrOneD
33908
Specdb::NmrOneD
33909
Specdb::NmrOneD
33910
Specdb::NmrOneD
33911
Specdb::NmrOneD
33912
Specdb::NmrOneD
33913
Specdb::NmrOneD
33914
Specdb::NmrOneD
33915
Specdb::NmrOneD
33916
Specdb::NmrOneD
33917
Specdb::NmrOneD
33918
Specdb::NmrOneD
33919
Specdb::NmrOneD
33920
Specdb::NmrOneD
33921
Specdb::MsMs
300859
Specdb::MsMs
300860
Specdb::MsMs
300861
Specdb::MsMs
343231
Specdb::MsMs
343232
Specdb::MsMs
343233
Specdb::MsMs
2406293
Specdb::MsMs
2406294
Specdb::MsMs
2406295
Specdb::MsMs
2529981
Specdb::MsMs
2529982
Specdb::MsMs
2529983
HMDB39581
#<Reference:0x000055ce304ee180>
Alcoholic beverages
Unknown
generic
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Fruits
Unknown
generic
Mollusks
Unknown
generic
6447
Prickly pear
Type 1
specific
Opuntia
106975
alliaceous
caramel
chemical
diffusive
pungent
rum
sweet