Results for:
PubChem ID: 12844

6-heptyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
DELTA-DODECALACTONE
713-95-1
6-Heptyltetrahydro-2H-pyran-2-one
5-Dodecanolide
delta-Dodecanolactone
6-heptyloxan-2-one
Dodecan-5-olide
2H-Pyran-2-one, 6-heptyltetrahydro-
5-Dodecalactone
Dodecanolide-1,5
5-Hydroxydodecanoic acid lactone
xi-5-Dodecanolide
n-Heptyl-delta-valerolactone
.delta.-Dodecalactone
FEMA No. 2401
delta-Heptyl-delta-valerolactone
(+/-)-5-Dodecanolide
Dodecanoic acid, 5-hydroxy-, delta-lactone
33DIC582TL
6-Heptyl-tetrahydropyran-2-one
.delta.-Heptyl-.delta.-valerolactone
MFCD00006651
(+/-)-delta-Heptyl-delta-valerolactone
Dodecanoic acid, 5-hydroxy-, .delta.-lactone
delta-Dodecalactone (natural)
d-Dodecalactone
HSDB 292
EINECS 211-932-4
UNII-33DIC582TL
AI3-36030
delta-Laurolactone
DELTALACTONE
6-heptyl-2-oxanone
5-Hydroxydodecanoic acid delta-lactone
5-Dodecanolide, 99%
EC 211-932-4
SCHEMBL114922
n-Heptyl-.delta.-valerolactone
.DELTA.-DODECANE LACTONE
CHEMBL4636895
DTXSID9047596
6-heptyl-tetrahydro-pyran-2-one
QRPLZGZHJABGRS-UHFFFAOYSA-
DELTA-DODECALACTONE [FCC]
CHEBI:171817
5-Hydroxydodecanoic acid d-lactone
DELTA-DODECALACTONE [HSDB]
delta-Dodecalactone, >=97%, FG
.DELTA.-DODECALACTONE [MI]
(R,S)-.DELTA.-DODECALACTONE
BBL027600
LMFA07040040
STL373783
.DELTA.-DODECALACTONE [FHFI]
2H-Pyran-2-one, tetrahydro-6-heptyl
AKOS015915485
(+/-)-.DELTA.-DODECALACTONE
CS-W010531
MCULE-4837230476
SB47814
delta-Dodecalactone, analytical standard
DS-11405
SY015678
5-Hydroxydodecanoic acid, .delta.-lactone
6-(Hept-1-yl)tetrahydro-2H-pyran-2-one
(+/-)-6-Heptyltetrahydro-2H-pyran-2-one
DB-055522
AI 3-36030
D1414
NS00009933
D70226
A837171
W-109596
delta-Dodecalactone;6-Heptyltetrahydro-2H-pyran-2-one
Q27256257
3051-22-7
InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
Microorganism:

Yes

IUPAC name6-heptyloxan-2-one
SMILESCCCCCCCC1CCCC(=O)O1
InchiInChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
FormulaC12H22O2
PubChem ID12844
Molweight198.3
LogP3.6
Atoms14
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID171817
Supernatural-IDSN0313340

mVOC Specific Details

Solubility
INSOL IN WATER
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
Literature: #SOL IN ETHANOL; POORLY SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno