Results for:
PubChem ID: 11514

2-methylpropyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
Isobutylisovalerate
Isobutyl isopentanoate
ISOBUTYL ISOVALERATE
KEBDNKNVCHQIJU-UHFFFAOYSA-N
Isobutyl 3-methylpropanoate
2-Methylpropyl isovalerate
Isovaleric Acid Isobutyl Ester
Isobutyl 3-methylbutanoate
AC1L1XIV
Butyl isovalerate, natural
ACMC-1AULF
2-Methylpropyl 3-methylbutyrate
Isovaleric acid, isobutyl ester
Isobutyl isovalerate (natural)
Isobutyl 3-methyl butyrate
2-Methylpropyl 3-methylbutanoate
2-methylpropyl-3-methylbutyrate
KSC492O2F
NSC6993
CTK3J2722
I0197
6VCJ0UB168
SCHEMBL128660
UNII-6VCJ0UB168
AK208893
OR290512
OR019974
NSC-6993
NSC 6993
LS-2957
DTXSID5060431
CHEBI:89086
ZINC1566476
AN-21517
TRA0097992
CJ-05382
CJ-24624
KB-52730
ANW-33092
LMFA07010727
MFCD00048349
C-50489
RT-000946
DB-053295
AI3-33586
WLN: 1Y1&1VO1Y1&1
AKOS024437963
FT-0627360
FEMA No. 3369
BRN 1702649
I14-59437
Butanoic acid,3-methyl-, 2-methylpropyl ester
589-59-3
Isobutyl isovalerate, >=98.0% (GC)
Butanoic acid, 3-methyl-, 2-methylpropyl ester
EINECS 209-653-8
MolPort-003-937-664
Isobutyl isovalerate, natural (US), >=99%, FG
Microorganism:

Yes

IUPAC name2-methylpropyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC(C)C
InchiInChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
FormulaC9H18O2
PubChem ID11514
Molweight158.241
LogP2.6
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber MelanosporumT. 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
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber MelanosporumYes
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS