Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
RN: 780-11-0
InChIKey: FSJYRLHKLVGCNH-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-(1,1-Dimethylethyl)phenol methylcarbamate
  • 3-tert-Butylphenyl N-methylcarbamate
  • 4-06-00-03295 (Beilstein Handbook Reference)
  • BRN 1876800
  • EINECS 212-303-7
  • H-22
  • Knockbal
  • RE 5030
  • TBPMC
  • Terbam

Systematic Names

  • Carbamic acid, methyl-, 3-tert-butylphenyl ester
  • m-tert-Butylphenyl methylcarbamate
  • Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
  • Phenol, 3-(1,1-dimethylethyl)-, methylcarbamate

Registry Numbers

CAS Registry Number

  • 780-11-0

System Generated Number

  • 0000780110

Structure Descriptors

InChI

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

InChIKey

FSJYRLHKLVGCNH-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(C)(C)C)OC(NC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 470mg/kg (470mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 1, Pg. 44, 1977.
mouse LD50 skin 2660mg/kg (2660mg/kg)   Japan Pesticide Information. Vol. (4), Pg. 28, 1970.
rabbit LD50 oral 505mg/kg (505mg/kg)   Japan Pesticide Information. Vol. (4), Pg. 28, 1970.
rat LD50 unreported 470mg/kg (470mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 191, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.93 (none)   EXP
Water Solubility 126 mg/L 25 EST
Vapor Pressure 1.80E-03 mm Hg 25 EST
Henry's Law Constant 8.29E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.65E-12 cm3/molecule-sec 25 EST

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