Results for:
PubChem ID: 24020

Ethyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	DL-2-Methylbutyricacidethylester Ethyl alpha-methylbutyrate HCRBXQFHJMCTLF-UHFFFAOYSA-N Ethyl2-methylbutyrate ETHYL 2-METHYLBUTANOATE ethyl-2-methylbutanoate NATURAL ETHYL 2-METHYLBUTYRATE Ethyl 2-methylbutyrate Ethyl DL-2-Methylbutyrate ethyl 2-methyl-butanoate Ethyl .alpha.-methylbutyrate D-ethyl 2-methylbutyrate AC1L2N5I 2-Methylbutanoic acid ethyl ester ethyl-2-methyl-butyrate Ethyl 2-methyl butyrate KSC490A1D Nat.D-Ethyl-2-Methylbutyrate ACMC-209tac NSC1103 2-methyl butanoic acid ethyl ester CTK3J0011 M0757 DL-2-Methylbutyric Acid Ethyl Ester SCHEMBL118486 Ethyl 2-methylbutyrate (natural) NSC 1103 Jsp000324 AK398246 Nat. Ethyl 2 Methyl Butyrate NSC-1103 OR025384 OR336290 DTXSID3052488 CHEBI:88452 Ethyl 2-methylbutyrate, 99% ANW-42226 AN-20097 MFCD00012217 LMFA07010506 KB-201414 AI3-35155 RTR-024089 TR-024089 DB-055889 AKOS009166025 I14-2576 Q-201079 Butanoic acid,2-methyl-, ethyl ester FT-0625972 FEMA No. 2443 Butanoic acid, 2-methyl-, ethyl ester Butyric acid, 2-methyl-, ethyl ester 7452-79-1 EINECS 231-225-4 53956-13-1 Ethyl 2-methylbutyrate, >=98%, FCC, FG MolPort-001-788-266 Butyric acid, 2-methyl-, ethyl ester (8CI) Ethyl 2-methylbutyrate, natural, mixture of enantiomers, >=98%, FCC, FG WE(2:0/4:0(2Me)) InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H
Microorganism:	Yes
IUPAC name	ethyl 2-methylbutanoate
SMILES	CCC(C)C(=O)OCC
Inchi	InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	24020
Molweight	130.187
LogP	1.97
Atoms	23
Bonds	22
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters

mVOC Specific Details

MS-Links

MS-MS Spectrum 92202 MS-MS Spectrum 155785 MS-MS Spectrum 155786 MS-MS Spectrum 92203 MS-MS Spectrum 155784 MS-MS Spectrum 92204

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Penicillium Chrysogenum n/a Landes-Gesundheitsamt Stuttgart, Germany Matysik et al., 2008 Fungi Tuber Simonea None None March et al., 2006 Fungi Tuber Aestivum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Miesentericum None None March et al., 2006 Fungi Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Borchii T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b Bacteria Escherichia Coli n/a Tait et al., 2014 Bacteria Klebsiella Pneumoniae n/a Tait et al., 2014 Bacteria Staphylococcus Aureus n/a Tait et al., 2014 Bacteria Coagulase-negative Staphylococci n/a Hettinga et al., 2008 Bacteria Staphylococcus Aureus n/a Hettinga et al., 2008 Fungi Geotrichum Candidum compost mixed with milky fermented product Zirbes et al. 2019 Fungi Tuber Melanosporum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) Mauriello et al., 2004 Bacteria Nannocystis Exedens Na EB37 n/a Dickschat et al., 2007 Fungi Penicillium Commune Pitt na in dry-cured meat products, cheese Sunesson et al., 1995

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Penicillium Chrysogenum DG 18 agar (dichloran chloramphenicol) n/a Fungi Tuber Simonea None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Aestivum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Miesentericum None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Borchii Yes Bacteria Escherichia Coli BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Klebsiella Pneumoniae BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Staphylococcus Aureus BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Coagulase-negative Staphylococci Milk HS-SPME/GC-MS Bacteria Staphylococcus Aureus Milk HS-SPME/GC-MS Fungi Geotrichum Candidum medium 863 SPME-GC-MS yes Fungi Tuber Melanosporum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Bacteria Nannocystis Exedens Na EB37 n/a n/a Fungi Penicillium Commune Pitt MEA GC/MS