Results for:
PubChem ID: 12516

Ethyl 3-methylbut-2-enoate

Mass-Spectra

Compound Details

Synonymous names
Ethyl isopropylideneacetate
Ethyl dimethylacrylate
Ethyl isopropylidene acetate
UTXVCHVLDOLVPC-UHFFFAOYSA-N
UTXVCHVLDOLVPC-UHFFFAOYSA-
Ethyl isobutenoate
Ethyl beta-methylcrotonate
ETHYL beta,beta'-DIMETHYLACRYLATE
Ethyl senecioate
Ethyl beta,beta-dimethylacrylate
Ethyl 3-methylcrotonate
AC1L1ZRF
Ethyl-Beta,Beta-Dimethyl Acrylate
Ethyl .beta.-methylcrotonate
3-Methylcrotonic Acid Ethyl Ester
ethyl-3,3-dimethylacrylate
KSC912A7R
Ethyl 3,3-dimethylacrylate
ACMC-209nid
CTK8B2078
W7563
M1441
NSC61853
NSC99208
SCHEMBL101514
VZ36049
Ethyl 3-methylbut-2-enoate
ZINC406966
Ethyl 3-methyl-2-butenoate
3,3-Dimethylacrylic acid ethyl ester
DTXSID0060931
ZB013714
BC201331
OR021670
OR159705
OR313524
M-7490
A834532
SC-49947
NSC 61853
NSC 99208
NSC-61853
NSC-99208
LS-55604
2Z69LO3855
AJ-22536
AK-88669
AN-47025
ANW-34739
AT-26028
ST2412979
CJ-04099
TL8004497
TRA0038147
Ethyl .beta.,.beta.-dimethylacrylate
3,3-dimethyl acrylic acid ethyl ester
3-Methyl-2-butenoic Acid Ethyl Ester
MFCD00009187
ZINC00406966
NCIOpen2_002201
KB-178782
UNII-2Z69LO3855
TR-021932
ST51055372
RTR-021932
AI3-32913
W-104872
AKOS015841067
I14-6193
BRN 1744854
Ethyl 3,3-dimethylacrylate, 98%
FT-0626359
3-methyl-but-2-enoic acid ethyl ester
3-Methyl-2-butenoic acid, ethyl ester
F8884-7003
CROTONIC ACID, 3-METHYL-, ETHYL ESTER
638-10-8
EINECS 211-319-1
2-Butenoic acid, 3-methyl-, ethyl ester
MolPort-003-927-490
4-02-00-01556 (Beilstein Handbook Reference)
InChI=1/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3
Microorganism:

Yes

IUPAC nameethyl 3-methylbut-2-enoate
SMILESCCOC(=O)C=C(C)C
InchiInChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3
FormulaC7H12O2
PubChem ID12516
Molweight128.171
LogP1.9
Atoms21
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters alkenes ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus Nigern/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al., 2008
FungiPenicillium Chrysogenumn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al., 2008
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2022
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus NigerDG 18 agar (dichloran chloramphenicol) n/a
FungiPenicillium Chrysogenumwett wall papern/a
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo