Results for:
PubChem ID: 5281163

Ethyl (E)-2-methylbut-2-enoate

Mass-Spectra

Compound Details

Synonymous names	Ethyl tiglate 5837-78-5 Tiglic acid, ethyl ester Ethyl 2-methylcrotonate Ethyl trans-2-methyl-2-butenoate ethyl (E)-2-methylbut-2-enoate Ethyl alpha-methylcrotonate Ethyl 2-methylbut-2-enoate (E)-2-Methyl-2-butenoic acid ethyl ester 2-Butenoic acid, 2-methyl-, ethyl ester, (2E)- Ethyl (E)-2-methylcrotonate Ethyl trans-2-methylcrotonate FEMA No. 2460 Tiglic acid ethyl ester Ethyl (E)-2-methyl-2-butenoate ETHYLTIGLATE 2-Butenoic acid, 2-methyl-, ethyl ester, (E)- 2-Butenoic acid, 2-methyl-, ethyl ester (E)-ethyl 2-methylbut-2-enoate ethyl (2E)-2-methylbut-2-enoate Crotonic acid, 2-methyl-, ethyl ester, (E)- CHEBI:4892 0MQ7E9082G Ethyl (2E)-2-methyl-2-butenoate NSC-55278 2-Butenoic acid, 2-methyl-, ethyl ester, (2Z)- Ethyl 2-methylcrotonate, (E)- EINECS 227-425-6 Ethyl 2-methyl-2-butenoate, (E)- NSC 55278 BRN 1720895 UNII-0MQ7E9082G Tiglic acid, ethyl ester (6CI,7CI) Ethyl tiglate, >=98% Ethyl alpha -methylcrotonate Ethyl-2-methylbut-2-enoate ETHYL TIGLATE [FHFI] (E)-Ethyl 2-methylcrotonate SCHEMBL111293 CHEMBL299599 Ethyl tiglate, >=98%, FG (E)-ethyl2-methylbut-2-enoate DTXSID8047688 FEMA 2460 (E)-Ethyl 2-methyl-2-butenoate NSC55278 LMFA07010884 MFCD00015183 AKOS015903267 2-Methyl-ethyl ester(E)-Crotonic acid 2-Methyl-ethyl ester(E)-2-Butenoic acid LS-13312 2-Methyl-ethyl ester(2E)-2-Butenoic acid 2-methyl-trans-but-2-enoic acid ethyl ester CS-0186102 NS00012464 T0247 Ethyl tiglate stabilized with alpha-tocopherol (E)-2-butenoic acid, 2-methyl-, ethyl ester C08487 D94746 Q27106534
Microorganism:	Yes
IUPAC name	ethyl (E)-2-methylbut-2-enoate
SMILES	CCOC(=O)C(=CC)C
Inchi	InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
Formula	C7H12O2
PubChem ID	5281163
Molweight	128.17
LogP	1.7
Atoms	9
Bonds	3
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	4892
Supernatural-ID	SN0260234-01

mVOC Specific Details

Boiling Point	Degree Reference 154 median
MS-Links	MS-MS Spectrum 160627 MS-MS Spectrum 96185 MS-MS Spectrum 96184 MS-MS Spectrum 160626 MS-MS Spectrum 96183 MS-MS Spectrum 160628
1D-NMR-Links	1D NMR Spectrum 4621 1D NMR Spectrum 4494
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006837

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Cryptococcus Nemorosus NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Cryptococcus Nemorosus liquid YPD medium GC-MS no Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no