Results for:
PubChem ID: 102820

2-methylpropyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
NWZQCEQAPBRMFX-UHFFFAOYSA-N
Isobutyl 2-methylbutyrate
Isobutyl 2-methylbutanoate
Isobutyl 2-methyIbutyrate
AC1L2TMG
2-Methylbutyric acid isobutyl ester
2-methylpropyl 2-methylbutanoate
Isobutyl 2 Methyl Butyrate
Iso-Butyl-2-Methylbutyrate
AC1Q62SO
KSC493K7H
iso-Butyl 2-methyl butyrate
CTK3J3573
88RJ33L6G3
OR031647
OR247020
OR247021
SCHEMBL1171356
2-Methylbutanoic acid 2-methyl propyl ester
UNII-88RJ33L6G3
2-Methyl-1-propyl 2-methylbutyrate
ACM2445672
KB-52740
C-55488
LMFA07010568
DB-003689
RT-001549
AI3-33627
AKOS006242617
FT-0627367
Butyric acid, 2-methyl-, isobutyl ester
BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ESTER
2445-67-2
EINECS 219-492-5
Butanoic acid, 2-methyl-, 2-methylpropyl ester
WE(3:0(2Me)/4:0(2Me))
Microorganism:

Yes

IUPAC name2-methylpropyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)C
InchiInChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
FormulaC9H18O2
PubChem ID102820
Molweight158.241
LogP2.85
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy)Mauriello et al., 2004
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres