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Substance Name: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-bis(1-isocyanato-1-methylethyl)benzene
RN: 94857-19-9
InChIKey: PUDFXELQRPQEHN-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag XU (Exempt from Reporting under Chemical Data Reporting Rule)

Molecular Formula

  • (C14-H16-N2-O2.C6-H14-O3)x-

Molecular Weight

  • 378.466
 
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Names and Synonyms

Synonyms

  • m-Tetramethylxylene diisocyanate/trimethylol propane adduct
  • m-Tmxdi/tmp adduct

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94857-19-9

Other Registry Number

  • 122051-44-9

System Generated Number

  • 0094857199

Molecular Formulas

Molecular Formula

  • (C14-H16-N2-O2.C6-H14-O3)x-

Molecular Formula Fragments

  • C14-H16-N2-O2
  • C6-H14-O3
  • COMPONENT

Structure Descriptors

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

PUDFXELQRPQEHN-UHFFFAOYSA-N

Smiles

C(C(CO)(CC)CO)O.c1(cc(ccc1)C(C)(C)N=C=O)C(C)(C)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 106, 1990.
rat LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: ATAXIA Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 106, 1990.