Results for:
PubChem ID: 10882

Ethyl Pentanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL VALERATE Ethyl pentanoate 539-82-2 Pentanoic acid, ethyl ester Ethyl n-valerate Valeric acid, ethyl ester Ethylvalerate Ethyl valerianate Pentanoic acid ethyl ester n-Valeric acid ethyl ester FEMA No. 2462 Valeric Acid Ethyl Ester MFCD00009479 CHEBI:89771 NSC-8868 95R258T4P6 Ethyl-n-valerate UNII-95R258T4P6 NSC 8868 EINECS 208-726-1 Ethyl valerate, 99% Valeric acid-ethyl ester AI3-01270 ETHYL N-PENTANOATE ETHYL VALERATE [FCC] CHEMBL47483 ETHYL VALERATE [FHFI] SCHEMBL127083 Ethyl valerate, >=98%, FG DTXSID6040161 FEMA 2462 ICMAFTSLXCXHRK-UHFFFAOYSA- NSC8868 Valeric acid, ethyl ester (8CI) Ethyl valerate, analytical standard LMFA07010881 AKOS008948340 MCULE-1219537918 N-VALERIC ACID ETHYL ESTER [MI] LS-13334 DB-003655 NS00012474 V0004 Ethyl valerate, natural (US), >=98%, FG AMYLMETACRESOL IMPURITY H [EP IMPURITY] A829879 Q1193173 F0001-1400 InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
Microorganism:	Yes
IUPAC name	ethyl pentanoate
SMILES	CCCCC(=O)OCC
Inchi	InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
Formula	C7H14O2
PubChem ID	10882
Molweight	130.18
LogP	1.9
Atoms	9
Bonds	5
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	89771
Supernatural-ID	SN0141922

mVOC Specific Details

Boiling Point	Degree Reference 144 median
MS-Links	MS-MS Spectrum 55006 MS-MS Spectrum 147939 MS-MS Spectrum 55005 MS-MS Spectrum 147941 MS-MS Spectrum 147940 MS-MS Spectrum 55007
1D-NMR-Links	1D NMR Spectrum 4488 1D NMR Spectrum 4615
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005297 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007225

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Clavatus NA Dickschat et al. 2018 Eukaryota Geotrichum Candidum compost mixed with milky fermented product Zirbes et al. 2011 Prokaryota Burkholderia Tropica n/a NA Tenorio-Salgado et al. 2013 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Lactobacillus Plantarum Zhang et al. 2023 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Clavatus medium 129 CLSA-GCMS no Eukaryota Geotrichum Candidum medium 863 SPME-GC-MS yes Prokaryota Burkholderia Tropica Potato dextrose agar Headspace trapping/ GC-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 Saccharomyces Cerevisiae grape juice LC-15C HPLC no Eukaryota Wickerhamomyces Anomalus medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l) SPME with GC-MS no Eukaryota Wickerhamomyces Anomalus solid-state fermentation starter culture Daqu SPME coupled with GC-MS no Lactobacillus Plantarum Habanero pepper GC–IMS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no