Results for:
PubChem ID: 7803

Propyl Propanoate

Mass-Spectra

Compound Details

Synonymous names	n-Propylpropropionate Propylester kyseliny propionove MCSINKKTEDDPNK-UHFFFAOYSA-N Propyl propanoate PROPYL PROPIONATE propionic acid propyl Propanoic acid propyl ester n-Propyl propionate Propionic Acid Propyl Ester n-Propyl propanoate Propanoic acid, propylester n-Propyl n-propanoate Propylester kyseliny propionove [Czech] n-Propyl n-propionate Propyl ester of propanoic acid AC1L1PL3 Propionic acid n-propyl ester Propionic acid, propyl ester Propanoic acid, propyl ester AC1Q66NO Propyl propionate (natural) G09TRV00GK UNII-G09TRV00GK 7524AF SCHEMBL62961 ACMC-1BU07 Propyl propionate, 99% P0511 NSC72022 RP19236 LTBB002247 WLN: 3OV2 LS-3080 OR012083 LP066398 DTXSID4042337 CHEMBL3185284 ZINC1697400 CHEBI:89828 NSC 72022 AN-22429 ANW-15337 CJ-28494 DSSTox_GSID_42337 NSC-72022 MFCD00009373 LMFA07010412 DSSTox_RID_79999 ZINC01697400 DSSTox_CID_22337 RTR-001249 TR-001249 AI3-24357 AKOS008947790 J-001582 FEMA No. 2958 FT-0631593 BRN 1699993 I14-10595 Tox21_301107 106-36-5 Propyl propionate, >=98%, FCC, FG NCGC00255007-01 NCGC00248289-01 MCULE-2749425161 CAS-106-36-5 EINECS 203-389-7 WE(3:0/3:0) Propyl propionate, natural (US), >=98%, FCC, FG 4-02-00-00707 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	propyl propanoate
SMILES	CCCOC(=O)CC
Inchi	InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
Formula	C6H12O2
PubChem ID	7803
Molweight	116.16
LogP	1.5
Atoms	20
Bonds	19
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	esters

mVOC Specific Details

MS-Links

MS-MS Spectrum 121089 MS-MS Spectrum 64037 MS-MS Spectrum 121091 MS-MS Spectrum 64035 MS-MS Spectrum 64036 MS-MS Spectrum 121090

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Simonea None None March et al., 2006 Fungi Tuber Aestivum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Miesentericum None None March et al., 2006 Fungi Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Simonea None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Aestivum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Miesentericum None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS