METHYL 2-NONYNOATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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 of METHYL 2-NONYNOATE

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

PubMed

Title	Date	PubMed
Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis.	2006 Aug	16876981

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:18 GMT 2023` Edited by `admin` on `Fri Dec 15 18:17:18 GMT 2023`
Record UNII	8RN66UR57V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

NSC-72102

Code

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

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

Code System Code Type Description

CAS

111-80-8

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

PRIMARY

RXCUI

2384443

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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FDA UNII

8RN66UR57V

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

PRIMARY

CHEBI

51749

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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EPA CompTox

DTXSID3047639

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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EVMPD

SUB76063

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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ECHA (EC/EINECS)

203-909-2

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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PUBCHEM

8137

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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NSC

72102

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

PRIMARY

SMS_ID

100000137610

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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MESH

C055802

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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JECFA MONOGRAPH

1355

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

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DAILYMED

8RN66UR57V

Created by admin on Fri Dec 15 18:17:18 GMT 2023 , Edited by admin on Fri Dec 15 18:17:18 GMT 2023

PRIMARY