Product Name

  • Name

    3-(2-hydroxypropan-2-yl)phenyl methylcarbamate

  • EINECS
  • CAS No. 17710-63-3
  • Density 1.139g/cm3
  • Solubility
  • Melting Point
  • Formula C11H15NO3
  • Boiling Point 318.9°C at 760 mmHg
  • Molecular Weight 209.27
  • Flash Point 146.7°C
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 17710-63-3 (3-(2-hydroxypropan-2-yl)phenyl methylcarbamate)
  • Hazard Symbols A poison.
  • Synonyms
  • PSA
  • LogP

3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate Chemical Properties

Molecule structure of 3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3):

IUPAC Name: [3-(2-Hydroxypropan-2-yl)phenyl] N-methylcarbamate 
Molecular Weight: 209.2417 g/mol
Molecular Formula: C11H15NO3 
Density: 1.139 g/cm3 
Boiling Point: 318.9 °C at 760 mmHg 
Flash Point: 146.7 °C
Index of Refraction: 1.527
Molar Refractivity: 56.47 cm3
Molar Volume: 183.5 cm3
Polarizability: 22.38×10-24 cm3
Surface Tension: 40 dyne/cm 
Enthalpy of Vaporization: 59.16 kJ/mol
Vapour Pressure: 0.000147 mmHg at 25 °C
XLogP3: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 209.105193
MonoIsotopic Mass: 209.105193
Topological Polar Surface Area: 58.6
Heavy Atom Count: 15
Complexity: 228
Canonical SMILES: CC(C)(C1=CC(=CC=C1)OC(=O)NC)O
InChI: InChI=1S/C11H15NO3/c1-11(2,14)8-5-4-6-9(7-8)15-10(13)12-3/h4-7,14H,1-3H3,(H,12,13)
InChIKey 3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3): RTTKHSIBIIQTAR-UHFFFAOYSA-N

3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate Toxicity Data With Reference

1.    

ipr-mus LD50:2900 µg/kg

     JAFCAU    Journal of Agricultural and Food Chemistry. 16 (1968),561.

3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.

3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate Specification

 3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3) is also named as BRN 2271432 ; Hydroxypropyl UC 10854 ; Methylcarbamic acid alpha-hydroxy-m-cumenyl ester ; Benzenemethanol, alpha,alpha-dimethyl-3-(((methylamino)carbonyl)oxy)- (9CI) ; Carbamic acid, methyl-, alpha-hydroxy-m-cumenyl ester .

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