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

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

Approval Year

PubMed

PubMed

TitleDatePubMed
An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8.
2011-12
A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.
2010-09
Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis.
2006-08
Name Type Language
NSC-72102
Preferred Name English
METHYL 2-NONYNOATE
FHFI  
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
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
Code System Code Type Description
CAS
111-80-8
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
RXCUI
2384443
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
FDA UNII
8RN66UR57V
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
CHEBI
51749
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID3047639
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
EVMPD
SUB76063
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-909-2
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
PUBCHEM
8137
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
NSC
72102
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
SMS_ID
100000137610
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
MESH
C055802
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
JECFA MONOGRAPH
1355
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
DAILYMED
8RN66UR57V
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY