Results for:
PubChem ID: 12756

5-ethyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names	gamma-Caprolactone 695-06-7 gamma-Hexalactone gamma-Hexanolactone 4-Hexanolide 6-Caprolactone 5-Ethyldihydrofuran-2(3H)-one 5-ethyloxolan-2-one Tonkalide 2(3H)-Furanone, 5-ethyldihydro- Hexanolide-1,4 Toukalide Hexan-4-olide 4-Ethyl-4-butanolide 4-Hydroxyhexanoic acid lactone gamma-Ethylbutyrolactone 5-Ethyltetrahydro-2-furanone .gamma.-Caprolactone gamma-Ethyl-n-butyrolactone 5-ETHYLDIHYDRO-2(3H)-FURANONE .gamma.-Hexalactone FEMA No. 2556 Frutinal .gamma.-Ethylbutyrolactone NSC 24255 NSC 134769 .gamma.-Hexanolactone Dihydro-5-ethyl-2(3H)-furanone .gamma.-Ethyl-.gamma.-butyrolactone MFCD00005401 (R)-5-Ethyldihydrofuran-2(3H)-one gamma-Ethyl-gamma-butyrolactone CHEMBL192458 J16NAT1G41 DTXSID8041298 CHEBI:85235 NSC-24255 NSC-134769 63357-95-9 Hexanoic acid, .gamma.-lactone EINECS 211-778-8 4-Ethyl-4-hydroxybutanoic acid lactone BRN 0107260 UNII-J16NAT1G41 Hexanoic acid, 4-hydroxy-, gamma-lactone -Hexalactone AI3-36655 4-Ethylbutanolide hexa-4-olide 4-Hydroxyhexanoate gamma -Caprolactone 4-hydroxy-Hexanoate starbld0016506 .GAMMA.-LACTONE gamma-Caprolactone, 98% SCHEMBL36360 5-17-09-00040 (Beilstein Handbook Reference) .GAMMA.-CAPROLACTONE- .gamma.-Ethyl-n-butyrolactone 5-Ethyl-dihydro-furan-2-one 4-hydroxy-Hexanoic acid lactone GAMMA-HEXALACTONE [FCC] DTXCID6021298 GAMMA-CAPROLACTONE [INCI] .GAMMA.-HEXALACTONE [FHFI] 5-Ethyldihydro-2(3H)-furanone # NSC24255 Hexanoic acid, 4-hydroxy-, lactone Tox21_300875 (+/-)-4-ETHYLBUTYROLACTONE AC2069 BDBM50167994 LMFA07040010 NSC134769 s6265 (+/-)-.GAMMA.-HEXALACTONE 4-ethylbutanolide (gamma-hexalactone) 4-hydroxy-Hexanoic acid gamma-lactone gamma-Hexalactone, analytical standard AKOS015908187 CS-W016608 DS-6470 gamma-Hexalactone, natural, 97%, FG HY-W015892 SB47678 gamma-Hexalactone, >=98%, FCC, FG NCGC00248198-01 NCGC00254779-01 CAS-695-06-7 SY015382 2(3H)-Furanone, 5-ethyldihydro-, (R)- DB-055288 DS-016225 H0514 Hexanoic acid, 4-hydroxy-, .gamma.-lactone NS00012560 EN300-156820 gamma-Caprolactone, Vetec(TM) reagent grade, 98% (+/-)-.GAMMA.-ETHYL-.GAMMA.-BUTYROLACTONE gamma-Ethyl-gamma-butyrolactone, gamma-Caprolactone Q27158424 Z1255423463
Microorganism:	Yes
IUPAC name	5-ethyloxolan-2-one
SMILES	CCC1CCC(=O)O1
Inchi	InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
Formula	C6H10O2
PubChem ID	12756
Molweight	114.14
LogP	0.7
Atoms	8
Bonds	1
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters heterocyclic compounds lactones
CHEBI-ID	85235
Supernatural-ID	SN0160801

mVOC Specific Details

MS-Links	MS-MS Spectrum 5994 - EI-B (HITACHI M-60) Positive MS-MS Spectrum 180294 MS-MS Spectrum 2348 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 5993 - EI-B (Unknown) Positive MS-MS Spectrum 5995 - EI-B (HITACHI M-80B) Positive MS-MS Spectrum 177983 MS-MS Spectrum 2347 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 2346 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 177982 MS-MS Spectrum 180295 MS-MS Spectrum 180296 MS-MS Spectrum 177981
1D-NMR-Links	1D NMR Spectrum 4649 1D NMR Spectrum 4522 1D NMR Spectrum 1984 - Bruker 600 MHz 1H NMR
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002876 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008306 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008726

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 Eukaryota Trichoderma Sp. NA Wickel et al. 2013 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 Nannocystis Exedens n/a NA Dickschat et al. 2007 Eukaryota Aspergillus Flavus n/a NA Beck et al. 2012 Eukaryota Aspergillus Parasiticus n/a NA Beck et al. 2012 Eukaryota Aspergillus Niger n/a NA Beck et al. 2012 Eukaryota Penicillium Glabrum n/a NA Beck et al. 2012 Eukaryota Rhizopus Stolonifer n/a NA Beck et al. 2012

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Loktanella Sp. n/a n/a no Prokaryota Dinoroseobacter Shibae n/a n/a no Eukaryota Trichoderma Sp. no Prokaryota Stigmatella Sp. n/a n/a no Prokaryota Dinoroseobacter Sp. n/a n/a no Prokaryota Nannocystis Exedens n/a n/a no Eukaryota Aspergillus Flavus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Parasiticus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Niger potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Penicillium Glabrum potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Rhizopus Stolonifer potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no