Results for:
PubChem ID: 519786

3-methylbutyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
Isoamyl isobutyrate
Isopentyl isobutyrate
2050-01-3
3-Methylbutyl 2-methylpropanoate
Propanoic acid, 2-methyl-, 3-methylbutyl ester
3-Methylbutyl isobutyrate
Isobutyric acid, isopentyl ester
Isoamyl 2-methylpropanoate
Isoamyl isobutanoate
Isopentyl 2-methylpropanoate
3-Methyl-1-butyl isobutyrate
Isopentyl alcohol, isobutyrate
Isopentyl isobutanoate
RF0ZT103EG
FEMA No. 3507
3-Methylbutyl 2-methylpropionate
Isobutyric Acid Isoamyl Ester
WE(4:0(3Me)/3:0(2Me))
iso-Amyl iso-butyrate
Iso Amyl Iso Butyrate
UNII-RF0ZT103EG
SCHEMBL351059
Isopentyl 2-methylpropanoate #
DTXSID0062131
CHEBI:87537
FEMA 3507
ISOAMYL ISOBUTYRATE [FCC]
Isoamyl isobutyrate, >=98%, FG
CAA05001
EINECS 218-078-1
LMFA07010572
MFCD00053719
AKOS015907978
MCULE-3390836356
Isoamyl isobutyrate, natural, 98%, FG
AS-14782
2-methylpropanoic acid 3-methylbutyl ester
3-Methylbutyl 2-methylpropanoate (natural)
AI3-33583
CS-0128834
I0676
NS00046456
E81487
3-METHYLBUTYL 2-METHYLPROPANOATE [FHFI]
A814610
Q27159709
Z212702362
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
Molweight158.24
LogP2.8
Atoms11
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID87537
Supernatural-IDSN0389101

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaProteus MirabilisNANAJünger et al. 2012
EukaryotaTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaPenicillium Roquefortin/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen 2003
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
ProkaryotaPsychrobacillus VulpisNAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
EukaryotaTuber Indicumyes
EukaryotaPenicillium Roqueforti wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibresno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno