Product Name

  • Name

    1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene

  • EINECS
  • CAS No. 94857-19-9
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula (C14H16N2O2•C6H14O3)x-
  • Boiling Point 309.9°Cat760mmHg
  • Molecular Weight 378.4626
  • Flash Point 126.4°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by skin contact. Low toxicity by ingestion. A skin and eye irritant. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 94857-19-9 (1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene)
  • Hazard Symbols
  • Synonyms 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene;1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE/TRIMETHYLOLPROP.;META-TETRAMETHYLXYLENEDIISOCYANATETRIMETHYLOLPROPANEADDUCT;2-Ethyl-2-(hydroxymethyl)-1,3-propanediol polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene
  • PSA 119.55000
  • LogP 2.18810

m-Tetramethylxylene diisocyanate-trimethylol propane adduct Chemical Properties

Molecule structure of m-Tetramethylxylene diisocyanate-trimethylol propane adduct (CAS NO.94857-19-9) :

IUPAC Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol 
Molecular Weight: 378.4626 g/mol
Molecular Formula: C20H30N2O5 
Boiling Point: 309.9 °C at 760 mmHg
Flash Point: 126.4 °C
Enthalpy of Vaporization: 55.07 kJ/mol
Vapour Pressure: 0.000619 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Exact Mass: 378.215472
MonoIsotopic Mass: 378.215472
Topological Polar Surface Area: 120
Heavy Atom Count: 27
Complexity: 413
Canonical SMILES: CCC(CO)(CO)CO.CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O
InChI: InChI=1S/C14H16N2O2.C6H14O3/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;1-2-6(3-7,4-8)5-9/h5-8H,1-4H3;7-9H,2-5H2,1H3
InChIKey m-Tetramethylxylene diisocyanate-trimethylol propane adduct (CAS NO.94857-19-9): PUDFXELQRPQEHN-UHFFFAOYSA-N

m-Tetramethylxylene diisocyanate-trimethylol propane adduct Toxicity Data With Reference

1.    

skn-rbt 500 mg MOD

     JACTDZ    Journal of the American College of Toxicology. 1 (1990),106.
2.    

eye-rbt 100 mg MLD

     JACTDZ    Journal of the American College of Toxicology. 1 (1990),106.
3.    

orl-rat LD50:>5 g/kg

     JACTDZ    Journal of the American College of Toxicology. 1 (1990),106.
4.    

skn-rbt LD50:>2 g/kg

     JACTDZ    Journal of the American College of Toxicology. 1 (1990),106.

m-Tetramethylxylene diisocyanate-trimethylol propane adduct Consensus Reports

Reported in EPA TSCA Inventory.

m-Tetramethylxylene diisocyanate-trimethylol propane adduct Safety Profile

Moderately toxic by skin contact. Low toxicity by ingestion. A skin and eye irritant. When heated to decomposition it emits toxic vapors of NOx.

m-Tetramethylxylene diisocyanate-trimethylol propane adduct Specification

 m-Tetramethylxylene diisocyanate-trimethylol propane adduct (CAS NO.94857-19-9) is also called m-Tmxdi/tmp adduct ; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene ; 1,3-Bis(1-isocyanato-1-methylethyl)benzene/trimethylolprop.; Meta-tetramethylxylenediisocyanatetrimethylolpropaneadduct ; 2-ethyl-2-(hydroxymethyl)-1,3-propanediol polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene .

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