Results for:
PubChem ID: 519786

3-methylbutyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
Isopentylisobutyrate
Isopentyl isobutanoate
Isopentyl isobutyrate
Isoamyl isobutyrate
Isoamyl isobutanoate
VFTGLSWXJMRZNB-UHFFFAOYSA-N
Isobutyric acid isoamyl
Isopentyl 2-methylpropanoate
Isoamyl 2-methylpropanoate
Isobutyric Acid Isoamyl Ester
3-Methylbutyl isobutyrate
Isopentyl alcohol, isobutyrate
AC1LAT2Q
Isopentyl 2-methylpropanoate #
Isobutyric acid, isopentyl ester
iso-Amyl iso-butyrate
3-Methylbutyl 2-methylpropanoate
3-Methylbutyl 2-methylpropionate
RF0ZT103EG
M579
KSC492K9F
UNII-RF0ZT103EG
iso amyl 2-methyl propanoate
2-methylpropanoic acid 3-methylbutyl ester
I0676
CTK3J2592
SCHEMBL351059
3-Methyl-1-butyl isobutyrate
3-Methylbutyl 2-methylpropanoate (natural)
DTXSID0062131
OR011176
OR191435
ZINC2515951
ACMC-20979f
A814610
CHEBI:87537
Isoamyl isobutyrate, >=98%, FG
ANW-13681
CJ-08714
CC-29664
LMFA07010572
C-34514
MFCD00053719
ZINC02515951
ST50824699
AI3-33583
RT-000793
I14-2592
AKOS015907978
FEMA No. 3507
FT-0627322
2050-01-3
MCULE-3390836356
Propanoic acid, 2-methyl-, 3-methylbutyl ester
EINECS 218-078-1
MolPort-003-960-132
Isoamyl isobutyrate, natural, 98%, 70% isoamyl isobutyrate basis, FG
WE(4:0(3Me)/3:0(2Me))
InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H
Microorganism:

Yes

IUPAC name3-methylbutyl 2-methylpropanoate
SMILESCC(C)CCOC(=O)C(C)C
InchiInChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
FormulaC9H18O2
PubChem ID519786
Molweight158.241
LogP2.78
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber IndicumYes
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres