Results for:
PubChem ID: 12516

Ethyl 3-methylbut-2-enoate

Mass-Spectra

Compound Details

Synonymous names
Ethyl 3,3-dimethylacrylate
638-10-8
Ethyl 3-methylbut-2-enoate
Ethyl 3-methylcrotonate
Ethyl 3-methyl-2-butenoate
Ethyl senecioate
Ethyl isobutenoate
3,3-Dimethylacrylic acid ethyl ester
2-Butenoic acid, 3-methyl-, ethyl ester
Ethyl isopropylideneacetate
Ethyl-Beta,Beta-Dimethyl Acrylate
Ethyl dimethylacrylate
3-Methyl-2-butenoic Acid Ethyl Ester
CROTONIC ACID, 3-METHYL-, ETHYL ESTER
NSC 61853
NSC 99208
Ethyl .beta.,.beta.-dimethylacrylate
NSC-61853
NSC-99208
2Z69LO3855
3-methyl-but-2-enoic acid ethyl ester
Ethyl beta-methylcrotonate
Ethyl isopropylidene acetate
Ethyl beta,beta-dimethylacrylate
EINECS 211-319-1
BRN 1744854
AI3-32913
UNII-2Z69LO3855
Ethyl3-methylbut-2-enoate
NCIOpen2_002201
Ethyl .beta.-methylcrotonate
4-02-00-01556 (Beilstein Handbook Reference)
SCHEMBL101514
dimethylacrylic acid ethyl ester
DTXSID0060931
UTXVCHVLDOLVPC-UHFFFAOYSA-
3-Methylcrotonic Acid Ethyl Ester
Ethyl 3,3-dimethylacrylate, 98%
SENECIOIC ACID, ETHYL ESTER
NSC61853
NSC99208
MFCD00009187
AKOS015841067
3-Methyl-2-butenoic acid, ethyl ester
AS-18468
CS-0015966
M1441
NS00022606
EN300-85518
O11780
A834532
W-104872
Q27255837
F8884-7003
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
Molweight128.17
LogP1.9
Atoms9
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
Supernatural-IDSN0380059

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaPenicillium Chrysogenumn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaAspergillus Nigern/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaPenicillium Chrysogenumwett wall papern/ano
EukaryotaAspergillus NigerDG 18 agar (dichloran chloramphenicol) n/ano
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno