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Substance Name: Menthyl acetoacetate
RN: 59557-05-0
UNII: 7Y94FXH95P
InChIKey: QSVQIPXQOCAWHP-KGYLQXTDSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H24-O3

Molecular Weight

  • 240.3406
 
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Names and Synonyms

Results Name

  • Menthyl acetoacetate

Name of Substance

  • Menthyl acetoacetate, (-)-

Synonyms

  • 2-06-00-00048 (Beilstein Handbook Reference)
  • BRN 4679794
  • Menthol acetoacetate
  • Menthyl acetoacetate
  • UNII-7Y94FXH95P

Systematic Names

  • Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1-alpha,2-beta,5-alpha))-
  • Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1theta-(1alpha,2beta,5alpha))-

Registry Numbers

CAS Registry Number

  • 59557-05-0

FDA UNII

  • 7Y94FXH95P

System Generated Number

  • 0059557050

Structure Descriptors

InChI

1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m1/s1

InChIKey

QSVQIPXQOCAWHP-KGYLQXTDSA-N

Smiles

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 733, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 733, 1982.