Results for:
PubChem ID: 8048

Ethyl Decanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL DECANOATE Ethyl caprate 110-38-3 Ethyl decylate Capric acid ethyl ester Decanoic acid, ethyl ester Ethyl caprinate Decanoic Acid Ethyl Ester Ethyl n-decanoate Capric acid, ethyl ester FEMA No. 2432 NSC 8909 Decanoic acid-ethyl ester n-Capric acid ethyl ester GY39FB86UO Ethyl ester of Decanoic acid DTXSID0044363 CHEBI:87430 NSC-8909 MFCD00009581 WE(2:0/10:0) Ethyl decanoate (natural) EINECS 203-761-9 UNII-GY39FB86UO BRN 1762128 AI3-01976 ETHYL CAPRATE [MI] ETHYL CAPRATE [INCI] WLN: 9VO2 ETHYL DECANOATE [FCC] SCHEMBL116995 ETHYL DECANOATE [FHFI] CHEMBL3184829 DTXCID8024363 FEMA 2432 NSC8909 Ethyl decanoate, analytical standard Tox21_301180 LMFA07010455 AKOS009158697 Ethyl decanoate, >=98%, FCC, FG CS-W015600 HY-W014884 MCULE-9201389917 NCGC00248319-01 NCGC00255078-01 BS-14328 CAS-110-38-3 Ethyl decanoate, ReagentPlus(R), >=99% D0022 NS00012390 Ethyl decanoate, natural, >=98%, FCC, FG E83014 Ethyl decanoate, Vetec(TM) reagent grade, 98% A802183 Q5404454 W-108688 METHYL2-([4-HYDROXYDIHYDRO-2(3H)-ISOXAZOLYL]CARBONYL)BENZENECARBOXYLATE
Microorganism:	Yes
IUPAC name	ethyl decanoate
SMILES	CCCCCCCCCC(=O)OCC
Inchi	InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
Formula	C12H24O2
PubChem ID	8048
Molweight	200.32
LogP	4.6
Atoms	14
Bonds	10
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87430
Supernatural-ID	SN0325059

mVOC Specific Details

Boiling Point	Degree Reference 241 median
MS-Links	MS-MS Spectrum 16353 MS-MS Spectrum 9680 MS-MS Spectrum 16352 MS-MS Spectrum 9681 MS-MS Spectrum 16354 MS-MS Spectrum 9682
1D-NMR-Links	1D NMR Spectrum 4437 1D NMR Spectrum 4555
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006135 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006213 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007195

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Fitzgerald et al. 2021 Eukaryota Pythium Oligandrum N/A Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470. Sheikh et al. 2023 Prokaryota Serratia Proteamaculans n/a NA Ercolini et al. 2009 Prokaryota Azospirillum Brasilense promotion of performance of Chlorella sorokiniana Shih culture collection DSMZ 1843 Amavizca et al. 2017 Eukaryota Saccharomyces Cerevisiae grape vine Becher et al. 2012 Prokaryota Lactobacillus Fermentum na na Pogačić et al. 2016 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Ljunggren et al. 2019 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Mozūraitis et al. 2022 Eukaryota Pichia Kudriavzevii NA NA Mozūraitis et al. 2022 Eukaryota Pichia Fermentans NA NA Mozūraitis et al. 2022 Eukaryota Saccharomyces Paradoxus NA NA Mozūraitis et al. 2022 Eukaryota Pichia Anomala NA NA Mozūraitis et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Debaryomyces Hansenii Li et al. 2023 Saccharomyces Cerevisiae Peng et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli TSB SPME/GC-MS no Prokaryota Escherichia Coli BHI SPME/GC-MS no Eukaryota Pythium Oligandrum V8 juice agar SPME/GC-MS/MS yes Prokaryota Serratia Proteamaculans n/a n/a no Prokaryota Azospirillum Brasilense TSA SPME-GC no Eukaryota Saccharomyces Cerevisiae synthetic minimal medium GC-MS, EI yes Prokaryota Lactobacillus Fermentum curd-based broth medium GC/MS yes 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 liquid YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Eukaryota Saccharomyces Eubayanus YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%) HS‐SPME‐GC‐MS no Eukaryota Hanseniaspora Uvarum YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Kudriavzevii YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Fermentans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Saccharomyces Paradoxus YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Anomala YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS 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 Eukaryota Saccharomyces Eubayanus beer wort HS-SPME-GC-MS no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Debaryomyces Hansenii meat with coconut oil GC-MS no Saccharomyces Cerevisiae sea buckthorn juice HS-SPME-GC–MS/UHPLC–MS no