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Substance Name: Isopulegol hydrate
RN: 3564-98-5
UNII: EB999AF32A
InChIKey: LMXFTMYMHGYJEI-IWSPIJDZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • Isopulegol hydrate

Synonyms

  • (+-)-Isopulegol hydrate
  • EPA Pesticide Chemical Code 011550
  • Isopulegol hydrate
  • Menthoglycol
  • p-Menthane-3,8-diol
  • p-Menthane-3,8-diol, cis-1,3,trans-1,4-
  • PMD
  • UNII-EB999AF32A

Systematic Names

  • Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)- (9CI)
  • Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R,4E)-rel-
  • p-Menthane-3,8-diol, cis-1,3,trans-1,4-

Registry Numbers

CAS Registry Number

  • 3564-98-5

FDA UNII

  • EB999AF32A

Other Registry Number

  • 81176-88-7

System Generated Number

  • 0003564985

Structure Descriptors

InChI

1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1

InChIKey

LMXFTMYMHGYJEI-IWSPIJDZSA-N

Smiles

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1240mg/kg (1240mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.