Results for:
PubChem ID: 97883

2-methylbutyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
2-Methylbutyl isobutyrate
2445-69-4
2-Methylbutyl 2-methylpropanoate
Propanoic acid, 2-methyl-, 2-methylbutyl ester
Isobutyric acid, 2-methylbutyl ester
2-Methylbutyl 2-methylpropionate
UC67Z9233Z
NSC-53946
WE(4:0(2Me)/3:0(2Me))
UNII-UC67Z9233Z
EINECS 219-493-0
2-methylbutylisobutyrate
2-Metylbutyl Isobutyrate
AI3-06019
SCHEMBL6060785
2-METHYLBUTYL ISOBUTANOATE
DTXSID80862946
2-methylbutyl 2-methylpropa-noate
CHEBI:167088
NSC53946
Propanoic acid, 2-methylbutyl ester
LMFA07010569
NSC 53946
AKOS028109861
2-methylpropanoic acid 2-methylbutyl ester
1-BUTANOL, 2-METHYL-, ISOBUTYRATE
NS00047015
2-METHYLPROPIONIC ACID 2-METHYLBUTYL ESTER
A817314
Q27291007
Microorganism:

Yes

IUPAC name2-methylbutyl 2-methylpropanoate
SMILESCCC(C)COC(=O)C(C)C
InchiInChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
FormulaC9H18O2
PubChem ID97883
Molweight158.24
LogP2.8
Atoms11
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID167088
Supernatural-IDSN0075483

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
EukaryotaMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al. 2010
EukaryotaTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy)Mauriello et al. 2004
EukaryotaTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSyes
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Indicumyes
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno