Results for:
PubChem ID: 7803

Propyl Propanoate

Mass-Spectra

Compound Details

Synonymous names	PROPYL PROPIONATE Propyl propanoate 106-36-5 Propanoic acid, propyl ester n-Propyl propionate n-Propyl propanoate Propionic acid, propyl ester n-Propyl n-propionate Propylester kyseliny propionove FEMA No. 2958 Propionic Acid Propyl Ester NSC 72022 Propionic acid n-propyl ester Propyl ester of propanoic acid Propionic acid-propyl ester G09TRV00GK DTXSID4042337 CHEBI:89828 NSC-72022 WE(3:0/3:0) Propyl propionate (natural) n-Propylpropropionate EINECS 203-389-7 UNII-G09TRV00GK Propylester kyseliny propionove [Czech] BRN 1699993 AI3-24357 Propyl-propanoate chlorhexidineacetate n-Propyl n-propanoate Propyl propionate, 99% SCHEMBL62961 4-02-00-00707 (Beilstein Handbook Reference) WLN: 3OV2 PROPYL PROPANOATE [MI] PROPYL PROPIONATE [FCC] CHEMBL3185284 DTXCID2022337 PROPYL PROPIONATE [FHFI] FEMA 2958 AMY21939 NSC72022 Tox21_301107 LMFA07010412 MFCD00009373 AKOS008947790 MCULE-2749425161 Propyl propionate, >=98%, FCC, FG NCGC00248289-01 NCGC00255007-01 CAS-106-36-5 LS-13177 DB-040686 NS00013167 P0511 F87292 J-001582 Q3119221 Propyl propionate, natural (US), >=98%, FCC, FG
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	1.7
Atoms	8
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	89828
Supernatural-ID	SN0222065

mVOC Specific Details

Boiling Point	Degree Reference 122 median
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
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001495 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005178 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005182 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006390

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Aestivum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Mesentericum None None March et al. 2006 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 Meyerozyma Guilliermondii Xiong et al. 2023 Lentinula Edodes Geng et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Aestivum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Mesentericum None Pressure balanced head-space sampling and GC/TOF-MS 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 Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Lentinula Edodes Jiuqu (traditional wheat Qu) GC-IMS no