Results for:
PubChem ID: 16821

5-octyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names	gamma-Dodecalactone 4-Dodecanolide 2305-05-7 5-octyloxolan-2-one 2(3H)-Furanone, dihydro-5-octyl- GAMMA-DODECANOLACTONE Dodecanolide-1,4 Dodecan-4-olide 4-Hydroxydodecanoic acid lactone Dihydro-5-octyl-2(3H)-furanone .gamma.-Dodecalactone 5-OCTYLDIHYDROFURAN-2(3H)-ONE (+/-)-4-Dodecanolide FEMA No. 2400 5-octyl-2-oxolanone Dihydro-5-octylfuran-2(3H)-one .gamma.-Dodecanolactone NSC 26511 .gamma.-n-Octyl-.gamma.-N-butyrolactone CHEMBL195215 YX9N4581LU DTXSID7047190 5-Octyl-dihydrofuran-2(3H)-one .gamma.-Octyl-.gamma.-butyrolactone xi-Dihydro-5-octyl-2(3H)-furanone MFCD00036499 NSC-26511 (+/-)-gamma-Octyl-gamma-butyrolactone 4-Hydroxydodecanoic acid, .gamma.-lactone Dodecanoic acid, 4-hydroxy-, .gamma.-lactone gamma-Dodecalactone (natural) dodecalactone 5-octyltetrahydrofuran-2-one gamma-Octyl-gamma-butyrolactone ?4-Dodecanolide gamma-Laurolactone gamma Dodecalactone gamma-n-Octyl-gamma-N-butyrolactone EINECS 218-971-6 .gamma.-Dodecanolide .gamma. Dodecalactone 4-Hydroxy-4-octylbutanoic acid lactone gamma -Dodecanolactone AI3-35986 Dodecanoic acid, 4-hydroxy-, gamma-lactone WLN: T5OVTJ E8 UNII-YX9N4581LU (GAMMA)-DODECALACTONE (+/-)-delta-dodecanolactone 5-Octyl-dihydro-furan-2-one DODECANO-1,4-LACTONE SCHEMBL111041 5-octyl-tetrahydro-furan-2-one DTXCID5027190 Dodecanoic acid, .gamma.-lactone GAMMA-DODECALACTONE [FCC] CHEBI:171837 (.+/-.)-4-n-Octylbutyrolactone (RS)-.GAMMA.-DODECALACTONE 5-Octyldihydro-2(3H)-furanone # NSC26511 Tox21_302617 2-(3H)-Furanone, 5-octyldihydro- 5-OCTYLTETRAHYDRO-2-FURANONE BDBM50168008 LMFA07040042 .GAMMA.-DODECALACTONE [FHFI] 4-(chloromethyl)cinnamicacidmethylester AKOS015904896 (+/-)-.GAMMA.-DODECALACTONE (+/-)-4-N-OCTYLBUTYROLACTONE gamma-Dodecalactone, analytical standard gamma-Dodecalactone, >=97%, FCC, FG NCGC00256822-01 AS-61143 (+/-)-Dihydro-5-octyl-2(3H)-furanone CAS-2305-05-7 .GAMMA,-OCTYL-.GAMMA.-BUTYROLACTONE DB-003478 gamma-Dodecalactone, natural, >=98%, FG CS-0320646 D1576 NS00012351 4-HYDROXYDODECANOIC ACID GAMMA.-LACTONE 4-HYDROXYDODECANOIC ACID(GAMMA)-LACTONE D89886 A816525 Q27294762 57084-18-1
Microorganism:	Yes
IUPAC name	5-octyloxolan-2-one
SMILES	CCCCCCCCC1CCC(=O)O1
Inchi	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
Formula	C12H22O2
PubChem ID	16821
Molweight	198.3
LogP	3.8
Atoms	14
Bonds	7
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters heterocyclic compounds lactones
CHEBI-ID	143727
Supernatural-ID	SN0409743

mVOC Specific Details

MS-Links	MS-MS Spectrum 6545 MS-MS Spectrum 6547 MS-MS Spectrum 226630 MS-MS Spectrum 13219 MS-MS Spectrum 226629 MS-MS Spectrum 226631 MS-MS Spectrum 13217 MS-MS Spectrum 6546 MS-MS Spectrum 13218
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008732 Massbank Spectrum MSBNK-Fiocruz-FIO00054 Massbank Spectrum MSBNK-Fiocruz-FIO00055 Massbank Spectrum MSBNK-Fiocruz-FIO00056

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Loktanella Sp. n/a NA Dickschat et al. 2005_4 Prokaryota Dinoroseobacter Shibae n/a NA Dickschat et al. 2005_4 Prokaryota Streptomyces Sp. n/a NA Dickschat et al. 2005_2 Prokaryota Stigmatella Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Loktanella Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Dinoroseobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Bacillus Subtilis NA NA Lee et al. 2023 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Loktanella Sp. n/a n/a no Prokaryota Dinoroseobacter Shibae n/a n/a no Prokaryota Streptomyces Sp. n/a n/a no Prokaryota Stigmatella Sp. n/a n/a no Prokaryota Dinoroseobacter Sp. n/a n/a no Prokaryota Bacillus Subtilis Tryptone soy broth (TSB) HPLC no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no