Results for:
PubChem ID: 12366

Ethyl Hexadecanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL PALMITATE Ethyl hexadecanoate 628-97-7 Palmitic acid ethyl ester Hexadecanoic acid, ethyl ester Ethyl cetylate Palmitic acid, ethyl ester FEMA No. 2451 Ethyl n-hexadecanoate IRD3M534ZM hexadecanoic acid ethyl ester hexadecanoic acid-ethyl ester DTXSID2047511 WE(2:0/16:0) NSC-8918 MFCD00008996 Ethyl Palmitate; Hexadecanoic acid ethyl ester Ethyl palmitate (natural) UNII-IRD3M534ZM NSC 8918 EINECS 211-064-6 AI3-06331 Ethyl palmitate, >=99% Hexadecanoic acid,ethyl ester SCHEMBL120620 ETHYL PALMITATE [FHFI] ETHYL PALMITATE [INCI] 3-trifluoromethyl-o-toluanilide QSPL 072 QSPL 171 QSPL 205 CHEMBL3561042 DTXCID0027511 Ethyl palmitate, >=95%, FG CHEBI:84932 FEMA 2451 ETHYL PALMITATE [USP-RS] NSC8918 HMS3650O17 Palmitic acid, ethyl ester (8CI) HY-N2086 Ethyl palmitate, analytical standard Tox21_302505 LMFA07010471 s9372 Ethyl hexadecanoate (ethyl palmitate) AKOS004910397 CCG-267313 MCULE-8045613210 Ethyl palmitate, 1mg/ml in Acetonitrile NCGC00256913-01 AC-35085 AS-57139 CAS-628-97-7 DB-054321 CS-0018590 NS00012447 P0003 Ethyl palmitate, natural (US), >=95%, FG Ethyl palmitate, Vetec(TM) reagent grade, 95% A801217 A868321 SR-01000946821 HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2 SR-01000946821-1 HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2 Q18354123 Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H
Microorganism:	Yes
IUPAC name	ethyl hexadecanoate
SMILES	CCCCCCCCCCCCCCCC(=O)OCC
Inchi	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
Formula	C18H36O2
PubChem ID	12366
Molweight	284.5
LogP	7.8
Atoms	20
Bonds	16
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	84932
Supernatural-ID	SN0431269

mVOC Specific Details

Boiling Point	Degree Reference 192 median
MS-Links	MS-MS Spectrum 155999 MS-MS Spectrum 155998 MS-MS Spectrum 92389 MS-MS Spectrum 92390 MS-MS Spectrum 92388 MS-MS Spectrum 155997
1D-NMR-Links	1D NMR Spectrum 4513 1D NMR Spectrum 4639
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003955

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Ochraceus NA Dickschat 2017 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019 Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Meyerozyma Guilliermondii Xiong et al. 2023 Cyberlindnera Fabianii Ma et al. 2023 Staphylococcus Aureus Wang et al. 2023 Pediococcus Acidilactici Mockus et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Ochraceus 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 Metschnikowia Lopburiensis liquid YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae grape juice LC-15C HPLC 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 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 Saturnispora Diversa synthetic grape juice HS-SPME no Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Cyberlindnera Fabianii tuna cooking liquid HS-SPME-GC/MS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no Pediococcus Acidilactici lentils (Lens culinaris) SPME/ICP-MS no