Results for:
PubChem ID: 5281163

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

Mass-Spectra

Compound Details

Synonymous names	ETHYLTIGLATE Ethyl alpha-methylcrotonate OAPHLAAOJMTMLY-UHFFFAOYSA-N OAPHLAAOJMTMLY-GQCTYLIASA-N Ethyl tiglate Ethyl 2-methylcrotonate Tiglic acid ethyl ester Ethyl trans-2-methylcrotonate AC1NQY58 AC1Q63NN Tiglic acid, ethyl ester ethyl2-methyl-2-butenoate Z6098 Ethyl tiglate, >=98% NSC55278 SCHEMBL111293 CHEMBL299599 ZINC897516 Ethyl 2-methylbut-2-enoate Ethyl 2-methyl-2-butenoate (E)-ethyl tiglate C08487 CHEBI:4892 0MQ7E9082G DTXSID8047688 LS-2751 OR021673 OR158062 OR289380 ZB015146 Ethyl (E)-2-methylcrotonate UNII-0MQ7E9082G Ethyl trans-2-methyl-2-butenoate KB-51681 AN-20003 NSC 55278 NSC-55278 FCH5710986 FCH1116003 FCH4040708 ZINC00897516 LMFA07010884 MFCD00015183 2-Methyl-2-butenoic acid ethyl ester ST50411796 RTR-020291 TR-020291 AKOS015903267 Ethyl tiglate, >=98%, FG FT-0626240 FEMA No. 2460 BRN 1720895 I14-19227 BBV-47093114 Ethyl 2-methylcrotonate, (E)- 5837-78-5 Ethyl (E)-2-methyl-2-butenoate (E)-Ethyl-2-methyl-2-butenoate ethyl (E)-2-methylbut-2-enoate EINECS 227-425-6 55514-48-2 Ethyl (2E)-2-methyl-2-butenoate ethyl (2E)-2-methylbut-2-enoate Tiglic acid, ethyl ester (6CI,7CI) 2-Butenoic acid, 2-methyl-, ethyl ester (E)-2-Methyl-2-butenoic acid ethyl ester Ethyl 2-methyl-2-butenoate, (E)- Crotonic acid, 2-methyl-, ethyl ester, (E)- 2-Butenoic acid, 2-methyl-, ethyl ester, (E)- 2-Butenoic acid, 2-methyl-, ethyl ester, (2E)- Crotonic acid, 2-methyl-, ethyl ester, (E)- (8CI)
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	128.171
LogP	2.05
Atoms	21
Bonds	20
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	esters alkenes

mVOC Specific Details

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

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Geotrichum Candidum compost mixed with milky fermented product Zirbes et al. 2023 Fungi Tuber Borchii n/a Splivallo et al., 2007
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Geotrichum Candidum medium 863 SPME-GC-MS yes Fungi Tuber Borchii n/a T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).