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Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ETHYLOCTANOIC ACID

SMILES

CCCCC(CC)CCC(O)=O

InChI

InChIKey=PWKJMPFEQOHBAC-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Substances derived from 4-ethyl octanoic acid account for primer pheromone activity for the "male effect" in goats.
2003 Sep
Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid.
2010 Jul 29
Rapid synthesis of flavor compound 4-ethyloctanoic acid under microwave irradiation.
2010 Oct 25
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:27:45 GMT 2023
Edited
by admin
on Fri Dec 15 18:27:45 GMT 2023
Record UNII
F9ESD8LYSQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ETHYLOCTANOIC ACID
FHFI  
Systematic Name English
4-ETHYLOCTANOIC ACID [FHFI]
Common Name English
4-ETHYLOCTANOIC ACID, (±)-
Common Name English
(±)-4-ETHYLOCTANOIC ACID
Systematic Name English
FEMA NO. 3800
Code English
4-ETHYLCAPRYLIC ACID
Systematic Name English
OCTANOIC ACID, 4-ETHYL-
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 4-ETHYLOCTANOIC ACID
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
Code System Code Type Description
CAS
16493-80-4
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID40864683
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY
FDA UNII
F9ESD8LYSQ
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY
JECFA MONOGRAPH
1227
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY
PUBCHEM
61840
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-560-5
Created by admin on Fri Dec 15 18:27:45 GMT 2023 , Edited by admin on Fri Dec 15 18:27:45 GMT 2023
PRIMARY