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Substance Name: Carbamic acid, methyl-, thymyl ester
RN: 3942-71-0
InChIKey: OWKQRPRYKIPYIG-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
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Names and Synonyms

Synonyms

  • 4-06-00-03338 (Beilstein Handbook Reference)
  • 5-Methyl-2-(1-methylethyl)phenol methylcarbamate
  • BRN 2330994
  • Methylcarbamic acid thymyl ester
  • Methylcarbamic acid, thymol ester
  • S 1016
  • Thymol methylcarbamate
  • Thymol N-methylcarbamate

Systematic Names

  • Carbamic acid, methyl-, thymyl ester
  • Phenol, 5-methyl-2-(1-methylethyl)-, methylcarbamate (9CI)

Registry Numbers

CAS Registry Number

  • 3942-71-0

System Generated Number

  • 0003942710

Structure Descriptors

InChI

1S/C12H17NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)

InChIKey

OWKQRPRYKIPYIG-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)C(C)C)OC(NC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08234,
rat LD50 oral 500mg/kg (500mg/kg)   Journal of Economic Entomology. Vol. 60, Pg. 1417, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.84 (none)   EXP
Atmospheric OH Rate Constant 1.24E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.