Results for:
PubChem ID: 60983

Heptane-2,3-dione

Mass-Spectra

Compound Details

Synonymous names
Valerylacetyl
Heptanedione
Acetylvaleryl
FJPGAMCQJNLTJC-UHFFFAOYSA-N
Acetyl pentanoyl
Acetyl valeryl
AC1L1UAC
DK55DDE86P
2,3-HEPTANEDIONE
UNII-DK55DDE86P
BDBM22769
CTK0C6666
NSC31668
CHEMBL364588
SCHEMBL109416
Heptane-2,3-dione
Benzil-related compound, 47
2,3-heptane dione
OR021672
SBB008584
DNC005434
DTXSID4059128
LP068954
FR-2294
CHEBI:88623
ACMC-20978p
ZINC1663926
FCH1117659
NSC-31668
NSC 31668
KB-17059
TRA0023425
CJ-26871
ANW-13655
AN-24335
ZINC01663926
LMFA12000013
2,3 - Heptanedione
MFCD00036550
C-52090
RTR-030112
TR-030112
AKOS015841115
FT-0609743
FEMA No. 2543
I14-20046
96-04-8
EINECS 202-472-5
2,3-Heptanedione, >=97%, FG
114866-93-2
2,2,4,5,5-Pentamethyl-3-Imidazoline-3-Oxide-1-Oxyl, Free Radical 98%
InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H
Microorganism:

Yes

IUPAC nameheptane-2,3-dione
SMILESCCCCC(=O)C(=O)C
InchiInChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
FormulaC7H12O2
PubChem ID60983
Molweight128.171
LogP1.99
Atoms21
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationKetone ketones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS