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Substance Name: 2-Nonynoic acid methyl ester
RN: 111-80-8
UNII: 8RN66UR57V
InChIKey: NTLJTUMJJWVCTL-UHFFFAOYSA-N

Note

  • Causes contact dermatitis.

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.2344
 
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Names and Synonyms

Name of Substance

  • 2-Nonynoic acid methyl ester

Synonyms

  • 2-Nonynoic acid, methyl ester
  • 4-02-00-01721 (Beilstein Handbook Reference)
  • AI3-35983
  • BRN 1759870
  • EINECS 203-909-2
  • FEMA No. 2726
  • Methyl 2-nonynoate
  • Methyl octin carbonate
  • Methyl octine carbonate
  • Methyl octyne carbonate
  • Methyloctyne carbonate
  • Methyloctyne carboxylate
  • NSC 72102
  • Octynecarboxylic acid, methyl ester
  • UNII-8RN66UR57V

Systematic Names

  • 2-Nonynoic acid, methyl ester
  • Methyl non-2-ynoate

Superlist Name

  • Methyl 2-nonynoate

Registry Numbers

CAS Registry Number

  • 111-80-8

FDA UNII

  • 8RN66UR57V

System Generated Number

  • 0000111808

Structure Descriptors

InChI

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

InChIKey

NTLJTUMJJWVCTL-UHFFFAOYSA-N

Smiles

C(C#CC(OC)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2220mg/kg (2220mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 871, 1975.