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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:40:03 GMT 2023` Edited by `admin` on `Fri Dec 15 19:40:03 GMT 2023`
Record UNII	5545264N9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

FEMA NO. 3575

Code

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