Results for:
PubChem ID: 7795

3-methylbutyl Butanoate

Mass-Spectra

Compound Details

Synonymous names
isoamylbutyrate
ISOPENTYL BUTANOATE
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Isopentyl butyrate
Isoamyl butanoate
Butyric acid isoamylester
3-methylbutylbutanoat
Isoamyl butyrate
Isoamyl butylate
Nat.isoamyl Butyrate
Butyric acid isoamyl
Isopentyl-n-butyrate
butyric acid isopentyl ester
Isoamyl butyrate, analytical standard
Isoamyl n-Butyrate
Isoamyl-n-butyrate
iso amyl butanoate
Isopentyl alcohol, butyrate
3-Methylbutyl butanoate
Iso Amyl Butyrate Natural
Iso-amyl butyrate
AC1L1PKF
Butyric Acid Isoamyl Ester
3-Methylbutyl butyrate
butanoic acid 3-methylbutyl ester
iso-Amyl n-butyrate
3-Methylbutyl n-butyrate
Butyric acid, isopentyl ester
ACMC-1BO1Y
Isoamyl butyrate (natural)
KSC176S3H
AC1Q66J8
NSC6548
1413AA
CTK0H6933
B0760
Butanoic acid, 3-methylbutyl ester
505AFM77VU
SCHEMBL112594
3-Methyl-1-butyl butanoate
CCRIS 6556
UNII-505AFM77VU
DTXSID3042059
SBB061109
OR198515
OR034318
NSC-6548
NSC 6548
LS-2364
CHEMBL3187370
Jsp000574
AK114198
A801410
ZINC1693597
CHEBI:87422
ANW-15326
AN-22421
EBD2210699
CJ-28358
AJ-30211
DSSTox_GSID_42059
CJ-06553
KB-52712
DSSTox_CID_22059
DSSTox_RID_79909
MFCD00044888
LMFA07010574
ZINC01693597
ST24030796
KB-254449
RTR-001242
ST50824694
TR-001242
AI3-06126
ACM51115641
I14-2591
AKOS015907968
FT-0627328
FEMA No. 2060
BRN 1702557
Tox21_300384
NSC 6548 (Related)
106-27-4
Isoamyl butyrate, >=98%, FCC, FG
NCGC00254545-01
NCGC00248015-01
MCULE-8558213018
EINECS 203-380-8
CAS-106-27-4
Isoamyl butyrate, natural, >=98%, FCC, FG
WE(4:0(3Me)/4:0)
InChI=1/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H
Microorganism:

Yes

IUPAC name3-methylbutyl butanoate
SMILESCCCC(=O)OCCC(C)C
InchiInChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
FormulaC9H18O2
PubChem ID7795
Molweight158.241
LogP2.68
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters carboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
BacteriaKlebsiella Sp.n/aSchulz and Dickschat, 2007
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMS
BacteriaKlebsiella Sp.n/an/a
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres