Results for:
PubChem ID: 11514

2-methylpropyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	ISOBUTYL ISOVALERATE 589-59-3 2-Methylpropyl 3-methylbutanoate Isovaleric acid, isobutyl ester Butanoic acid, 3-methyl-, 2-methylpropyl ester 2-Methylpropyl 3-methylbutyrate 2-Methylpropyl isovalerate Isobutyl isopentanoate Isobutyl 3-methylpropanoate Isovaleric Acid Isobutyl Ester Isobutyl 3-methylbutanoate FEMA No. 3369 NSC 6993 6VCJ0UB168 NSC-6993 MFCD00048349 Isobutyl isovalerate (natural) 2-methylpropyl-3-methylbutyrate EINECS 209-653-8 BRN 1702649 UNII-6VCJ0UB168 AI3-33586 3-Methylbutanoic acid 2-methylpropyl ester Butyl isovalerate, natural Isobutyl 3-methyl butyrate SCHEMBL128660 DTXSID5060431 CHEBI:89086 FEMA 3369 ISOBUTYL ISOVALERATE [MI] NSC6993 WLN: 1Y1&1VO1Y1&1 LMFA07010727 AKOS024437963 Isobutyl isovalerate, >=98.0% (GC) LS-13709 2-METHYL PROPYL 3-METHYL BUTYRATE DB-053295 CS-0199173 I0197 NS00012680 2-METHYLPROPYL 3-METHYLBUTYRATE [FHFI] E79207 2-METHYL PROPYL 3-METHYL BUTYRATE [FCC] A869314 Isobutyl isovalerate, natural (US), >=99%, FG Q27161264
Microorganism:	Yes
IUPAC name	2-methylpropyl 3-methylbutanoate
SMILES	CC(C)CC(=O)OCC(C)C
Inchi	InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
Formula	C9H18O2
PubChem ID	11514
Molweight	158.24
LogP	2.7
Atoms	11
Bonds	5
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	89086
Supernatural-ID	SN0183117

mVOC Specific Details

Boiling Point	Degree Reference 168.5 median
MS-Links	MS-MS Spectrum 166993 MS-MS Spectrum 166992 MS-MS Spectrum 101377 MS-MS Spectrum 101378 MS-MS Spectrum 101376 MS-MS Spectrum 166994
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005213 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005300 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006522

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Melanosporum T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Eukaryota Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Prokaryota Proteus Hauseri Nematicidal activity cow dung XU et al. 2015 Prokaryota Wautersiella Falsenii Nematicidal activity cow dung XU et al. 2015

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Melanosporum yes Eukaryota Tuber Melanosporum n/a Headspace solid-phase microextraction (HS-SPME) combined with GC-MS no Prokaryota Proteus Hauseri LB liquid SPME-GC/MS no Prokaryota Wautersiella Falsenii LB liquid SPME-GC/MS no