Results for:
PubChem ID: 11039

Methyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names	METHYL ISOBUTYRATE 547-63-7 Methyl 2-methylpropanoate Propanoic acid, 2-methyl-, methyl ester Methyl 2-methylpropionate Methyl isobutanoate Isobutyric acid, methyl ester 106989-11-1 FEMA No. 2694 ISOBUTYRIC ACID METHYL ESTER 26161-42-2 Methylester kyseliny isomaselne NSC 126780 2-methylpropanoic acid methyl ester EM286QL922 NSC-126780 methylisobutyrate Methyl isobutyrate (natural) MFCD00166383 EINECS 208-929-5 Methylester kyseliny isomaselne [Czech] BRN 1740720 UNII-EM286QL922 MFCD00008914 Methyl methylpropanoate methyl 2-methylproponate Methyl isobutyrate, 99% Isobutyric acid-methyl ester SCHEMBL66536 (CH3)2CHC(O)OCH3 Methyl isobutyrate, 99%, FG WLN: 1Y1&VO1 METHYL ISOBUTYRATE [MI] DTXSID5060275 METHYL ISOBUTYRATE [FCC] CHEBI:73689 FEMA 2694 METHYL ISOBUTYRATE [FHFI] Methyl isobutyrate, natural, 98% BBA16142 CS-D1465 MFCD00131929 NSC126780 2-Methyl-propanoic acid, methyl ester AKOS005259719 AT32202 MCULE-8740211817 BP-30192 BS-22318 I0106 M0088 NS00004519 NS00021206 EN300-49191 A830359 Q146123 J-522610 Q27143856 InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H
Microorganism:	Yes
IUPAC name	methyl 2-methylpropanoate
SMILES	CC(C)C(=O)OC
Inchi	InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
Formula	C5H10O2
PubChem ID	11039
Molweight	102.13
LogP	1.2
Atoms	7
Bonds	2
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	73689
Supernatural-ID	SN0025536

mVOC Specific Details

Boiling Point	Degree Reference 91 median
MS-Links	MS-MS Spectrum 124006 MS-MS Spectrum 66440 MS-MS Spectrum 124007 MS-MS Spectrum 66439 MS-MS Spectrum 66438 MS-MS Spectrum 124005
1D-NMR-Links	1D NMR Spectrum 4178 1D NMR Spectrum 3904
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002554 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005916 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005981 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006963

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Streptomyces Albus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Antibioticus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Aureofaciens n/a NA Schöller et al. 2002 Prokaryota Streptomyces Coelicolor n/a NA Schöller et al. 2002 Prokaryota Streptomyces Hygroscopicus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Murinus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Thermoviolaceus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Olivaceus n/a NA Schöller et al. 2002 Prokaryota Actinomycetes Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Dyella Sp. na na Tyc et al. 2015 Eukaryota Muscodor Crispans n/a NA Mitchell et al. 2010 Eukaryota Muscodor Albus n/a NA Corcuff et al. 2011 Eukaryota Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Metschnikowia Hawaiiensis NA NA Ljunggren et al. 2019

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Streptomyces Albus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Antibioticus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Aureofaciens Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Coelicolor Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Hygroscopicus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Murinus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Thermoviolaceus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Olivaceus n/a n/a no Prokaryota Actinomycetes Sp. n/a n/a no Prokaryota Dyella Sp. Tryptic soy broth agar GC/MS-Q-TOF no Eukaryota Muscodor Crispans potato dextrose agar SPME-GC-MS no Eukaryota Muscodor Albus n/a Headspace sampler/GC-MS no Eukaryota Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Metschnikowia Hawaiiensis liquid YPD medium GC-MS no