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Compound Summary

General Compound Information

ethyl octanoate

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Description

Ethyl octanoate is a fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and an octanoate ester.

Synonyms

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;Octanoic acid-ethyl ester;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;MFCD00009552;BRN 1754470;ethyloctanoate;n-Octanoic Acid Ethyl Ester;UNII-81C5MOP582;AI3-01977;octanoic acid ethyl;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;ZINC1648316;Tox21_303730;LMFA07010447;AKOS000120258;Ethyl octanoate, >=98%, FCC, FG;CS-W016021;NCGC00357039-01;CAS-106-32-1;LS-13892;Ethyl octanoate, ReagentPlus(R), >=99%;DB-040685;Octanoic acid ethyl ester (ethyl octanoate);FT-0631592;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;

FlavorDB ID

2925

PUBCHEM ID

7799

Molecular Weight

172.26

Molecular Formula

C10H20O2

Openeye Can Smiles

CCCCCCCC(=O)OCC

IUPAC Inchikey

YYZUSRORWSJGET-UHFFFAOYSA-N

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	fruity	5.051e-2 µmol/L	mango	details

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
ETHYL OCTANOATE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR1G1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive