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Substance Name: 1-Butanol, 2,2-bis((2-propen-1-yloxy)methyl)-, reaction products with allyl alc. and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
RN: 71486-80-1
InChIKey: LHHWJJFTHLIQOX-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C12-H22-O3.C12-H18-N2-O2.C3-H6-O

Molecular Weight

  • 494.6684
 
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Names and Synonyms

Synonym

  • Isophorone diisocyanate, allyl alcohol, trimethylolpropane diallyl ether reaction product

Systematic Names

  • 1-Butanol, 2,2-bis((2-propen-1-yloxy)methyl)-, reaction products with allyl alc. and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
  • 1-Butanol, 2,2-bis((2-propenyloxy)methyl)-, reaction products with allyl alc. and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Registry Numbers

CAS Registry Number

  • 71486-80-1

System Generated Number

  • 0071486801

Molecular Formulas

Molecular Formula

  • C12-H22-O3.C12-H18-N2-O2.C3-H6-O

Molecular Formula Fragments

  • C12-H18-N2-O2
  • C12-H22-O3
  • C3-H6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O2.C12H22O3.C3H6O/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;1-2-3-4/h10H,4-7H2,1-3H3;4-5,13H,1-2,6-11H2,3H3;2,4H,1,3H2

InChIKey

LHHWJJFTHLIQOX-UHFFFAOYSA-N

Smiles

CCC(CO)(COCC=C)COCC=C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C=CCO