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Substance Name: Methyl heptine carbonate
RN: 111-12-6
UNII: 0TTP6YT2T3
InChIKey: FRLZQXRXIKQFNS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H14-O2

Molecular Weight

  • 154.208
 
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Names and Synonyms

Name of Substance

  • Methyl heptine carbonate

Synonyms

  • 2-Octynoic acid, methyl ester
  • 4-02-00-01715 (Beilstein Handbook Reference)
  • AI3-03938
  • BRN 1756887
  • EINECS 203-836-6
  • FEMA No. 2729
  • Folione
  • Methyl 2-octinate
  • Methyl 2-octynate
  • Methyl 2-octynoate
  • Methyl hept-1-yne-1-carboxylate
  • Methyl heptine carbonate
  • Methyl pentylacetylenecarboxylate
  • NSC 72098
  • UNII-0TTP6YT2T3
  • Vert de violette, artificial

Systematic Names

  • 2-Octynoic acid, methyl ester
  • Methyl oct-2-ynoate

Superlist Name

  • Methyl heptine carbonate

Registry Numbers

CAS Registry Number

  • 111-12-6

FDA UNII

  • 0TTP6YT2T3

Other Registry Number

  • 53073-28-2

System Generated Number

  • 0000111126

Structure Descriptors

InChI

1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

InChIKey

FRLZQXRXIKQFNS-UHFFFAOYSA-N

Smiles

C(#CC(OC)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3300mg/kg (3300mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 375, 1979.
rat LD50 oral 1530mg/kg (1530mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 375, 1979.