Results for:
PubChem ID: 8164

Octyl Acetate

Mass-Spectra

Compound Details

Synonymous names	Octyl acetate 112-14-1 n-Octyl acetate Acetic acid octyl ester Acetic acid, octyl ester Caprylyl acetate 1-Octyl acetate Octyl ethanoate n-Octanyl acetate n-Octyl ethanoate 1-Octanol acetate Acetate C-8 Octyl alcohol acetate Octyl acetate, normal Acetic acid n-octyl ester FEMA No. 2806 NSC 67348 X0FN2J413S DTXSID8044202 CHEBI:87495 octanol acetate octylacetate NSC-67348 Octyl acetate (natural) EINECS 203-939-6 BRN 1754554 UNII-X0FN2J413S octanyl acetate 1-acetoxyoctane AI3-11269 MFCD00009562 Octyl Acefafe,(S) Octyl acetate (van) Octyl acetate, >=99% SCHEMBL1500 NCIOpen2_000238 OCTYL ACETATE [FCC] OCTYL ACETATE [FHFI] 4-02-00-00165 (Beilstein Handbook Reference) WLN: 8OV1 CHEMBL2228456 DTXCID6024202 FEMA 2806 Octyl acetate, analytical standard HY-N0308 NSC67348 Tox21_302296 BBL027760 LMFA07010197 s2999 STL373498 Octyl acetate, >=98%, FCC, FG AKOS015915408 MCULE-8590238161 NCGC00255907-01 CAS-112-14-1 VS-08590 A0042 CS-0008806 NS00013089 Octyl acetate, natural, >=98%, FCC, FG E80795 A802497 J-002713 Q2173897 Z762364710
Microorganism:	Yes
IUPAC name	octyl acetate
SMILES	CCCCCCCCOC(=O)C
Inchi	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
Formula	C10H20O2
PubChem ID	8164
Molweight	172.26
LogP	3.4
Atoms	12
Bonds	8
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87495
Supernatural-ID	SN0453981

mVOC Specific Details

Boiling Point	Degree Reference 206 median
MS-Links	MS-MS Spectrum 168003 MS-MS Spectrum 102229 MS-MS Spectrum 102230 MS-MS Spectrum 102228 MS-MS Spectrum 168005 MS-MS Spectrum 168004
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001319 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001529 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005170 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005188 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006816

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Candida Albicans NA Karami et al. 2017 Eukaryota Fusarium Oxysporum 0 NA Li et al. 2018 Eukaryota Fusarium Oxysporum NA Li et al. 2018 Eukaryota Ascocoryne Sarcoides n/a NA Mallette et al.  2012 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Hanseniaspora Uvarum NA NA Mozūraitis et al. 2022 Eukaryota Saccharomyces Paradoxus NA NA Mozūraitis et al. 2022 Cyberlindnera Fabianii Ma et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Candida Albicans Mueller Hinton broth (MB), tryptic soy broth (TSB) SPME, DVB/CAR/PDMS, GC-MS no Eukaryota Fusarium Oxysporum PDA plate SPME-GC-MS no Eukaryota Fusarium Oxysporum potato dextrose agar SPME, GC-MS no Eukaryota Ascocoryne Sarcoides Minimal medium PTR-MS and SPME 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 malt extract broth HS-SPME with GC-MS no Eukaryota Hanseniaspora Uvarum 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 Cyberlindnera Fabianii tuna cooking liquid HS-SPME-GC/MS no