4-METHYLOCTANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(C)CCC(O)=O

InChI

InChIKey=LEGGANXCVQPIAI-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Efficient synthesis of (+/-)-4-methyloctanoic acid, aggregation pheromone of rhinoceros beetles of the genus Oryctes (Coleoptera: Dynastidae, Scarabaeidae).	2007-06-27	17530861
Desulfoglaeba alkanexedens gen. nov., sp. nov., an n-alkane-degrading, sulfate-reducing bacterium.	2006-12	17158970
Oryctes monoceros trapping with synthetic pheromone and palm material in Ivory Coast.	2006-08	16900429
Male aggregation pheromone of date palm fruit stalk borer Oryctes elegans.	2004-02	15112731
The effect of ethanol on the kinetics of lipase-mediated enantioselective esterification of 4-methyloctanoic acid and the hydrolysis of its ethyl ester.	2001-11	11668453

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:52:48 GMT 2025` Edited by `admin` on `Mon Mar 31 19:52:48 GMT 2025`
Record UNII	5545264N9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3575

Preferred Name

English

4-METHYLOCTANOIC ACID

Systematic Name

English

(±)-4-METHYLOCTANOIC ACID

Systematic Name

English

4-METHYL OCTANOIC ACID

Systematic Name

English

4-METHYLCAPRYLIC ACID

Systematic Name

English

OCTANOIC ACID, 4-METHYL-

Common Name

English

HIRCINOIC ACID

Common Name

English

4-METHYLOCTANOIC ACID, (±)-

Common Name

English

4-METHYLOCTANOIC ACID [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

4-METHYLOCTANOIC ACID