Results for:
PubChem ID: 19707

Hexane-2,3-dione

Mass-Spectra

Compound Details

Synonymous names
2,3-HEXANEDIONE
3848-24-6
hexane-2,3-dione
Acetylbutyryl
Acetyl butyryl
Methyl propyl diketone
Hexanedione
Butyryl acetyl
FEMA No. 2558
2,3-hexandione
559ANR3NVS
DTXSID2047066
CHEBI:87583
NSC-31665
EINECS 223-350-8
NSC 31665
UNII-559ANR3NVS
BRN 1699896
2,3-Hexanodione;Methyl propyl diketone;methylpropyldiketone
AI3-35989
2,3-Hexanodione
Methyl propyl glyoxal
HEXANEDIONE, 2,3-
SCHEMBL108066
CHEMBL3187497
DTXCID0027066
FEMA 2558
2,3-HEXANEDIONE [FHFI]
2,3-Hexanedione, >=95%, FG
NSC31665
Tox21_302349
LMFA12000247
MFCD00009398
2,3-Hexanedione, analytical standard
AKOS015899028
2,3-Hexanedione, natural, 96%, FG
MCULE-8267463586
2,3-Hexanedione, technical grade, 90%
NCGC00256020-01
LS-13150
CAS-3848-24-6
DB-049294
CS-0258819
NS00012987
2,3-Hexanedione; Acetylbutyryl; NSC 31665
EN300-7149590
A846404
Q11186388
Microorganism:

Yes

IUPAC namehexane-2,3-dione
SMILESCCCC(=O)C(=O)C
InchiInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
FormulaC6H10O2
PubChem ID19707
Molweight114.14
LogP0.4
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationketones
CHEBI-ID87583
Supernatural-IDSN0237510

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaCyanobacteria Sp.This compound is an attractant for the terrestrial nematode Caenorhabditis elegans. As part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.NASchulz and Dickschat 2007
Saccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaCyanobacteria Sp.n/an/ano
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno