Results for:
PubChem ID: 7799

Ethyl Octanoate

Mass-Spectra

Compound Details

Synonymous names	Ethylcaprylate YYZUSRORWSJGET-UHFFFAOYSA-N Ethyl caprylate ETHYL OCTANOATE Caprylic acid ethylester Ethyl octoate Ethyl octylate Ethyl octanoate, analytical reference material octanoic acid ethyl Caprylic acid ethyl ester Ethyl n-octanoate octanoic acid ethyl ester AC1L1PKR SCHEMBL454 Ethyl ester of octanoic acid octanoic acid ethyl ester; Octanoic acid, ethyl ester n-Octanoic Acid Ethyl Ester n-Caprylic acid ethyl ester Ethyl octanoate (natural) KSC175O5J NSC8898 CTK0H5754 O0030 NE10664 ACMC-2098ja C12292 WLN: 7VO2 81C5MOP582 LP001581 Jsp000577 LS-2744 NSC 8898 NSC-8898 DTXSID8051542 SBB061059 UNII-81C5MOP582 ZINC1648316 A801420 CHEBI:87426 DSSTox_GSID_51542 EBD2205436 ANW-15332 AN-22425 TRA0002297 MFCD00009552 LMFA07010447 DSSTox_CID_30094 TR-001246 ST51047128 RTR-001246 DB-040685 AI3-01977 AKOS000120258 J-001572 I14-2586 FT-0631592 BRN 1754470 FEMA No. 2449 Z794499482 Ethyl octanoate, ReagentPlus(R), >=99% Tox21_303730 106-32-1 Ethyl octanoate, >=98%, FCC, FG MCULE-2970505348 NCGC00357039-01 Ethyl caprylate, 99% 100g Ethyl octanoate, Vetec(TM) reagent grade, 98% CAS-106-32-1 EINECS 203-385-5 Ethyl octanoate, natural, >=98%, FCC, FG MolPort-003-925-938 WE(2:0/8:0)
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	172.268
LogP	3.2
Atoms	32
Bonds	31
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters

mVOC Specific Details

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

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Azospirillum Brasilense Cd promotion of performance of Chlorella sorokiniana Shih culture collection DSMZ 1843 Amavizca et al. 2017 Bacteria Bacillus Pumilus ES4 promotion of performance of Chlorella sorokiniana Shih Amavizca et al. 2017 Bacteria Escherichia Coli DH5a promotion of performance of Chlorella sorokiniana Shih Amavizca et al. 2017 Bacteria Carnobacterium Divergens 9P n/a Ercolini et al., 2009 Bacteria Escherichia Coli ATCC15547 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 Bacteria Escherichia Sp. n/a Schulz and Dickschat, 2007 Bacteria Lactobacillus Fermentum LSL 205 na na Pogačić et al., 2016 Bacteria Serratia Proteamaculans 42M n/a Ercolini et al., 2009 Fungi Saccharomyces Cerevisiae grape vine Becher et al. 2012 Fungi Saccharomyces Cerevisiae CR1 control citrus black spot disease fermentation processes Toffano et al. 2017

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Azospirillum Brasilense Cd TSA SPME-GC no Bacteria Bacillus Pumilus ES4 TSA SPME-GC no Bacteria Escherichia Coli DH5a TSA SPME-GC no Bacteria Carnobacterium Divergens 9P n/a n/a Bacteria Escherichia Coli ATCC15547 TS broth GC-MS Super Q no Bacteria Escherichia Sp. n/a n/a Bacteria Lactobacillus Fermentum LSL 205 curd-based broth medium GC/MS Yes Bacteria Serratia Proteamaculans 42M n/a n/a Fungi Saccharomyces Cerevisiae synthetic minimal medium GC-MS, EI yes Fungi Saccharomyces Cerevisiae CR1 YEPDA GC/MS no