Results for:
PubChem ID: 7981

Butyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
BUTYL ISOVALERATE
Butyl 3-methylbutanoate
109-19-3
n-Butyl isovalerate
1-Butyl isovalerate
Butyl isopentanoate
Butanoic acid, 3-methyl-, butyl ester
Butyl 3-methylbutyrate
Butyl isovalerianate
Isovaleric acid, butyl ester
n-Butyl 3-methylbutanoate
n-Butyl isopentanoate
FEMA No. 2218
NSC 6187
4UX6V9QM2J
1-Methylbutyl 3-methylbutanoate
NSC-6187
Butyl isovalerate, natural, 98%, FG
Butyl isovalerate (natural)
HSDB 6383
EINECS 203-654-7
UNII-4UX6V9QM2J
Isovaleric Acid Butyl Ester
BRN 1752803
AI3-33584
n-Butyl iso-valerate
Butyl 3-methylbutanoate #
SCHEMBL95383
3-02-00-00698 (Beilstein Handbook Reference)
BUTYL 3-METHYL BUTYRATE
BUTYL ISOVALERATE [FCC]
BUTYL 3-METHYL BUTANOATE
BUTYL ISOVALERATE [FHFI]
BUTYL ISOVALERATE [HSDB]
DTXSID9047621
N-BUTYL 3-METHYLBUTYRATE
3-Methylbutyric acid butyl ester
CHEBI:89723
FEMA 2218
3-methylbutanoic acid butyl ester
NSC6187
WLN: 4OV1Y1 & 1
3,6-Dihydroxy-3-methylhexanoic acid
LMFA07010652
MFCD00048775
AKOS016009800
Butyl isovalerate, >=98%, FCC, FG
BS-49168
B3718
NS00012049
Q27161913
Microorganism:

Yes

IUPAC namebutyl 3-methylbutanoate
SMILESCCCCOC(=O)CC(C)C
InchiInChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
FormulaC9H18O2
PubChem ID7981
Molweight158.24
LogP2.6
Atoms11
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID89723
Supernatural-IDSN0019068

mVOC Specific Details

Boiling Point
DegreeReference
150 deg CSax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 1673
Solubility
Insol in water; sol in most organic solvents
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. VII 71
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno