Results for:
PubChem ID: 18698

6-butyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names	DELTA-NONALACTONE 3301-94-8 2H-Pyran-2-one, 6-butyltetrahydro- 6-Butyltetrahydro-2H-pyran-2-one 6-butyloxan-2-one 5-Nonanolide delta-Nonanolactone 5-Nonalactone Hydroxynonanoic acid delta-lactone 5-Butyl-delta-valerolactone Nonan-1,5-olide .delta.-Nonalactone delta-Butyl-delta-valerolactone FEMA No. 3356 5-Hydroxynonanoic acid, lactone delta-Hydroxypelargonic acid lactone 5-Hydroxynonanoic acid delta-lactone .delta.-Butylvalerolactone DMB99B4WCF 5-Butyl-5-hydroxypentanoic acid lactone Nonanoic acid, 5-hydroxy-, delta-lactone MFCD00036500 2H-Pyran-2-one, tetrahydro-6-butyl UNII-DMB99B4WCF beta -nonalactone EINECS 221-974-5 .delta. Nonalactone delta-Pelargonolactone AI3-36027 5-Hydroxynonanoicacidlactone laquo deltaRaquo -nonanolide .DELTA.-NONANOLACTONE SCHEMBL918003 5-Hydroxynonanoic acid lactone DELTA-NONALACTONE [FCC] FEMA 3356 DTXSID70863149 (RS)-.DELTA.-NONALACTONE CHEBI:171747 (+/-)-DELTA-NONALACTONE delta-Nonalactone, 98%, FCC, FG 6-Butyltetrahydro-2H-pyran-2-one # AKOS015914962 CS-W018000 delta-Nonalactone, natural, 98%, FG HY-W017284 MCULE-5855223168 SB46699 SB46732 6-Butyltetrahydro-2H-pyran-2-one, 9CI AS-62019 SY050146 .DELTA.-BUTYL-.DELTA.-VALEROLACTONE NONANOIC ACID, 5-HYDROXY-, LACTONE N0424 NS00013033 5-HYDROXYNONANOIC ACID .DELTA.-LACTONE D91705 delta-Nonalactone;5-n-Butyl-delta-valerolactone HYDROXYNONANOIC ACID .DELTA.-LACTONE [FHFI] J-018980 NONANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE Q25323843 105140-26-9
Microorganism:	Yes
IUPAC name	6-butyloxan-2-one
SMILES	CCCCC1CCCC(=O)O1
Inchi	InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
Formula	C9H16O2
PubChem ID	18698
Molweight	156.22
LogP	2.4
Atoms	11
Bonds	3
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	lactones heterocyclic compounds esters
CHEBI-ID	171747
Supernatural-ID	SN0297933

mVOC Specific Details

MS-Links	MS-MS Spectrum 113932 MS-MS Spectrum 113931 MS-MS Spectrum 58084 MS-MS Spectrum 113933 MS-MS Spectrum 58083 MS-MS Spectrum 58085
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008735

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Dinoroseobacter Shibae n/a NA Dickschat et al. 2005_4 Eukaryota Trichoderma Atroviride NA Larsen 1998 Prokaryota Carnobacterium Divergens n/a NA Ercolini et al. 2009 Prokaryota Dinoroseobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Ge et al. 2021 Eukaryota Saccharomycopsis Crataegensis NA NA Ge et al. 2021 Eukaryota Metschnikowia Pulcherrima NA NA Ge et al. 2021 Eukaryota Pichia Kluyveri NA NA Ge et al. 2021 Eukaryota Rhodosporidiobolus Lusitaniae NA NA Ge et al. 2021

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Dinoroseobacter Shibae n/a n/a no Eukaryota Trichoderma Atroviride no Prokaryota Carnobacterium Divergens n/a n/a no Prokaryota Dinoroseobacter Sp. n/a n/a no Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Eukaryota Hanseniaspora Uvarum grape juice LC-15C HPLC no Eukaryota Saccharomycopsis Crataegensis grape juice LC-15C HPLC no Eukaryota Metschnikowia Pulcherrima grape juice LC-15C HPLC no Eukaryota Pichia Kluyveri grape juice LC-15C HPLC no Eukaryota Rhodosporidiobolus Lusitaniae grape juice LC-15C HPLC no