Results for:
PubChem ID: 16872

Hexyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
Hexylisobutyrate
Hexyl isobutyrate
Hexyl isobutanoate
CYHBDKTZDLSRMY-UHFFFAOYSA-N
n-Hexyl isobutanoate
n-Hexyl isobutyrate
Hexyl-2-methylpropionate
hexyl iso-butyrate
Hexyl 2-methylpropionate
HEXYL 2-METHYLPROPANOATE
1-Hexanol isobutyrate
1-Hexyl isobutyrate
AC1L28UX
Isobutyric acid, hexyl ester
n-Hexyl iso-butyrate
Hexyl isobutyrate (natural)
KSC492G5B
CTK3J2350
5FC79GHU69
SCHEMBL534484
NSC46108
UNII-5FC79GHU69
AK117755
LP003177
LS-2813
DTXSID2047519
CHEMBL3187477
ZINC1677781
NSC 46108
NSC-46108
CC-29336
AJ-29507
CJ-06218
AN-19911
CJ-27437
DSSTox_GSID_47519
Hexyl isobutyrate, >=98%, FG
C-05601
DSSTox_CID_27519
DSSTox_RID_82392
AI3-19791
ST24047385
RT-000528
DB-046161
AKOS022185053
FEMA No. 3172
FT-0627061
BRN 2075011
Tox21_302491
Propanoic acid, 2-methyl-, hexyl ester
2349-07-7
NCGC00256624-01
MCULE-2183299447
EINECS 219-075-8
CAS-2349-07-7
MolPort-003-912-451
Hexyl isobutyrate, natural (US), >=97%, FG
Microorganism:

Yes

IUPAC namehexyl 2-methylpropanoate
SMILESCCCCCCOC(=O)C(C)C
InchiInChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
FormulaC10H20O2
PubChem ID16872
Molweight172.268
LogP3.38
Atoms32
Bonds31
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo