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Substance Name: 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, allyl ester
RN: 10138-39-3
InChIKey: SZOBRFMKKNAYTL-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H16-O3

Molecular Weight

  • 196.244
 
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Names and Synonyms

Synonyms

  • 3,4-Epoxy-6-methylcyclohexanecarboxylic acid, allyl ester
  • 4-18-00-03899 (Beilstein Handbook Reference)
  • Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate
  • BRN 0148303
  • NSC 97559

Systematic Names

  • 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, 2-propenyl ester (9CI)
  • 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, allyl ester

Registry Numbers

CAS Registry Number

  • 10138-39-3

System Generated Number

  • 0010138393

Structure Descriptors

InChI

1S/C11H16O3/c1-3-4-13-11(12)8-6-10-9(14-10)5-7(8)2/h3,7-10H,1,4-6H2,2H3

InChIKey

SZOBRFMKKNAYTL-UHFFFAOYSA-N

Smiles

O1[C@@H]2C[C@@H](C(=O)OCC=C)[C@@H](C[C@@H]12)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2830uL/kg (2.83mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 500uL/kg (0.5mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.