Results for:
PubChem ID: 11509

Hexan-3-one

Mass-Spectra

Compound Details

Synonymous names
Aethylpropylketon
PFCHFHIRKBAQGU-UHFFFAOYSA-N
Ethyl propyl ketone
Aethylpropylketon [German]
AC1Q2UFE
AC1L1XIG
3-HEXANONE
3-Oxohexane
Ethyl n-propyl ketone
PENTANONE, METHYL-
3-Hexanone, analytical standard
Hexan-3-one
7512AF
ACMC-1B07F
CTK1H2304
HMDB00753
SCHEMBL107318
NE10652
n-C3H7COC2H5
Hexanone-(3)
DTXSID2021608
3-Hexanone (natural)
LS-2797
OR021555
SBB061496
OR133214
CHEMBL3184187
DSSTox_CID_1608
ZINC2034635
CHEBI:89891
DSSTox_GSID_21608
CJ-31906
TRA0085578
3-Hexanone, >=97%
P601A79G79
AN-21515
ANW-33084
DSSTox_RID_76234
ZINC02034635
3-Hexanone, 98%
MFCD00009402
LMFA12000049
TR-020454
ST51047499
DB-053289
RTR-020454
UNII-P601A79G79
AKOS009158136
BRN 1738025
FT-0615781
FEMA No. 3290
I14-19250
Tox21_201119
589-38-8
MCULE-7121523805
NCGC00258671-01
NCGC00248927-01
EINECS 209-645-4
CAS-589-38-8
63072-44-6
4-01-00-03301 (Beilstein Handbook Reference)
InChI=1/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H
Microorganism:

Yes

IUPAC namehexan-3-one
SMILESCCCC(=O)CC
InchiInChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
FormulaC6H12O
PubChem ID11509
Molweight100.161
LogP1.95
Atoms19
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetone ketones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 19467n/aclinicalGroenhagen et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
FungiPenicillium Brevicompactumcompost Fischer et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno