METHYL 2-NONYNOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H16O2
Molecular Weight	168.2328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCC#CC(=O)OC

InChI

InChIKey=NTLJTUMJJWVCTL-UHFFFAOYSA-N

InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H16O2
Molecular Weight	168.2328
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8.	2011-12	21920952
A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.	2010-09	20491607
Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis.	2006-08	16876981

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:09:10 GMT 2025` Edited by `admin` on `Mon Mar 31 19:09:10 GMT 2025`
Record UNII	8RN66UR57V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-72102

Preferred Name

English

METHYL 2-NONYNOATE

Systematic Name

English

METHYLOCTYNE CARBONATE

Systematic Name

English

METHYLOCTYNE CARBOXYLATE

Systematic Name

English

FEMA NO. 2726

Code

English

METHYL OCTINE CARBONATE

Common Name

English

2-NONYNOIC ACID, METHYL ESTER

Common Name

English

OCTYNECARBOXYLIC ACID, METHYL ESTER

Common Name

English

METHYL 2-NONYNOATE [FHFI]

Common Name

English

METHYL NON-2-YNOATE

Systematic Name

English

METHYL OCTINECARBONATE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

METHYL 2-NONYNOATE