Results for:
PubChem ID: 102820

2-methylpropyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	Iso-Butyl-2-Methylbutyrate 2445-67-2 Isobutyl 2-methylbutyrate 2-methylpropyl 2-methylbutanoate Isobutyl 2-methylbutanoate Butanoic acid, 2-methyl-, 2-methylpropyl ester Butyric acid, 2-methyl-, isobutyl ester 88RJ33L6G3 WE(3:0(2Me)/4:0(2Me)) 2-methylpropyl 2-methylbutyrate ISOBUTYL-2-METHYLBUTYRATE EINECS 219-492-5 AI3-33627 Isobutyl 2-methyIbutyrate isobutyl 2-methyl butyrate iso-Butyl 2-methyl butyrate MEFEXAMIDEHYDROCHLORIDE ISOBUTYL METHYLBUTYRATE UNII-88RJ33L6G3 BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ESTER SCHEMBL1171356 DTXSID20862945 CHEBI:179887 2-Methyl-1-propyl 2-methylbutyrate LMFA07010568 AKOS006242617 DB-003689 2-Methylbutanoic acid 2-methyl propyl ester CS-0450078 ISOBUTYL 2-METHYLBUTYRATE, (+/-)- NS00012684 E79267
Microorganism:	Yes
IUPAC name	2-methylpropyl 2-methylbutanoate
SMILES	CCC(C)C(=O)OCC(C)C
Inchi	InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
Formula	C9H18O2
PubChem ID	102820
Molweight	158.24
LogP	2.8
Atoms	11
Bonds	5
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	179887
Supernatural-ID	SN0257532

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007089

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Melanosporum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) Mauriello et al. 2004 Eukaryota Penicillium Roqueforti n/a obtained fronm department of Biotechnology , Denmark Technical Universität at Copenhagen Jelen 2003 Eukaryota Pichia Fermentans NA NA Mozūraitis et al. 2022 Prokaryota Psychrobacillus Vulpis NA NA Toral et al. 2021 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Melanosporum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) no Eukaryota Penicillium Roqueforti wheat kernel medium incubated at 20°C for 14 days, isolation by SPME with different fibres no Eukaryota Pichia Fermentans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Prokaryota Psychrobacillus Vulpis MOLP HS-SPME-GC/MS no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no