Results for:
PubChem ID: 7799

Ethyl Octanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL OCTANOATE Ethyl caprylate 106-32-1 Ethyl n-octanoate Caprylic acid ethyl ester Octanoic acid, ethyl ester Ethyl octoate Ethyl octylate octanoic acid ethyl ester FEMA No. 2449 n-Octanoic Acid Ethyl Ester Octanoic acid-ethyl ester MFCD00009552 n-Caprylic acid ethyl ester DTXSID8051542 81C5MOP582 NSC-8898 WE(2:0/8:0) Ethyl octanoate (natural) Caprylic acid ethylester NSC 8898 EINECS 203-385-5 BRN 1754470 ethyloctanoate UNII-81C5MOP582 AI3-01977 Ethyl ester octanoic acid SCHEMBL454 Ethyl ester of octanoic acid ETHYL CAPRYLATE [MI] WLN: 7VO2 ETHYL OCTANOATE [FCC] ETHYL OCTANOATE [FHFI] CHEMBL4633100 DTXCID9030094 CHEBI:87426 FEMA 2449 NSC8898 Tox21_303730 LMFA07010447 AKOS000120258 Ethyl octanoate, >=98%, FCC, FG CS-W016021 HY-W015305 MCULE-2970505348 NCGC00357039-01 CAS-106-32-1 LS-13892 Ethyl octanoate, ReagentPlus(R), >=99% DB-040685 Octanoic acid ethyl ester (ethyl octanoate) NS00012443 O0030 EN300-21302 Ethyl octanoate, analytical reference material Ethyl octanoate, natural, >=98%, FCC, FG Ethyl octanoate, Vetec(TM) reagent grade, 98% A801420 J-001572 Q3348790
Microorganism:	Yes
IUPAC name	ethyl octanoate
SMILES	CCCCCCCC(=O)OCC
Inchi	InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
Formula	C10H20O2
PubChem ID	7799
Molweight	172.26
LogP	3.5
Atoms	12
Bonds	8
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	acids
CHEBI-ID	87426
Supernatural-ID	SN0464076

mVOC Specific Details

Boiling Point	Degree Reference 206 median
MS-Links	MS-MS Spectrum 60081 MS-MS Spectrum 60082 MS-MS Spectrum 116347 MS-MS Spectrum 116348 MS-MS Spectrum 60083 MS-MS Spectrum 116346
1D-NMR-Links	1D NMR Spectrum 4544 1D NMR Spectrum 4426
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005204 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005309 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006429

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA Tejero Rioseras et al. 2017 Eukaryota Aspergillus Clavatus NA Dickschat et al. 2018 Prokaryota Pseudomonas Pseudoalcaligenes promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad Yasmin et al. 2021 Eukaryota Candida Albicans ATCC MYA-2876, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Glabrata ATCC 90030, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Tropicalis ATCC 750, American Type Culture Collection Costa et al. 2020 Prokaryota Escherichia Coli Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Azospirillum Brasilense promotion of performance of Chlorella sorokiniana Shih culture collection DSMZ 1843 Amavizca et al. 2017 Prokaryota Bacillus Pumilus promotion of performance of Chlorella sorokiniana Shih NA Amavizca et al. 2017 Prokaryota Escherichia Coli promotion of performance of Chlorella sorokiniana Shih NA Amavizca et al. 2017 Prokaryota Escherichia Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Serratia Proteamaculans n/a NA Ercolini et al. 2009 Prokaryota Carnobacterium Divergens n/a NA Ercolini et al. 2009 Eukaryota Saccharomyces Cerevisiae control citrus black spot disease fermentation processes Toffano et al. 2017 Prokaryota Escherichia Coli American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory Elgaali et al. 2002 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 Wickerhamomyces Anomalus NA NA Shi et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2020 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Cyberlindnera Fabianii Ma et al. 2023 Debaryomyces Hansenii Li et al. 2023 Enterobacter Cloacae Tallon et al. 2023 Saccharomyces Cerevisiae Peng et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae yeast nitrogen base, 2% glucose SESI-HRMS no Eukaryota Aspergillus Clavatus medium 129 CLSA-GCMS no Prokaryota Pseudomonas Pseudoalcaligenes LB media SPME/GC-MS no Eukaryota Candida Albicans YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Glabrata YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Tropicalis YGC media HS-SPME/GC-GC-ToFMS no Prokaryota Escherichia Coli TSB media HS-SPME/GC-MS no Prokaryota Azospirillum Brasilense TSA SPME-GC no Prokaryota Bacillus Pumilus TSA SPME-GC no Prokaryota Escherichia Coli TSA SPME-GC no Prokaryota Escherichia Sp. n/a n/a no Prokaryota Serratia Proteamaculans n/a n/a no Prokaryota Carnobacterium Divergens n/a n/a no Eukaryota Saccharomyces Cerevisiae YEPDA GC/MS no Prokaryota Escherichia Coli TS broth GC-MS Super Q 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 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 Eubayanus beer wort HS‐GC‐FID no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Cyberlindnera Fabianii tuna cooking liquid HS-SPME-GC/MS no Debaryomyces Hansenii meat with coconut oil GC-MS no Enterobacter Cloacae tryptone soya broth (TSB) media Tenax/GC/MS no Saccharomyces Cerevisiae sea buckthorn juice HS-SPME-GC–MS/UHPLC–MS no