Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isophorone diisocyanate
RN: 4098-71-9
UNII: 43B0856528
InChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N

Note

  • Used in processing polyurethane plastics.

Classification Codes

  • Threshold Planning Quantity (TPQ) = 100 lb
  • TWA (0.005 ppm)

Molecular Formula

  • C12-H18-N2-O2

Molecular Weight

  • 222.2862
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isophorone diisocyanate

Synonyms

  • 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate
  • BRN 2726467
  • CCRIS 6252
  • EC 223-861-6
  • EINECS 223-861-6
  • HSDB 6337
  • IPDI
  • Isophorone diamine diisocyanate
  • Isophorone diisocyanate
  • UNII-43B0856528

Systematic Names

  • 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
  • 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
  • Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
  • Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester
  • Isophorone diisocyanate

Superlist Names

  • Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
  • Isophorone diisocyanate
  • Isophorone diisocyanate [Diisocyanates]
  • Isophorone diisocyanate [UN2290] [Poison]
  • UN2290

Registry Numbers

CAS Registry Number

  • 4098-71-9

FDA UNII

  • 43B0856528

Other Registry Numbers

  • 101701-80-8
  • 102771-74-4
  • 105439-02-9
  • 110648-35-6
  • 111093-75-5
  • 1186289-22-4
  • 1199811-14-7
  • 1211316-62-9
  • 124961-52-0
  • 129212-17-5
  • 146282-59-9
  • 146665-38-5
  • 149579-36-2
  • 194936-84-0
  • 26602-93-7
  • 50974-99-7
  • 52985-93-0
  • 63793-40-8
  • 66708-07-4
  • 70936-97-9
  • 74091-63-7
  • 74520-92-6
  • 88778-74-9

System Generated Number

  • 0004098719

Structure Descriptors

InChI

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

InChIKey

NIMLQBUJDJZYEJ-UHFFFAOYSA-N

Smiles

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 1mL/kg (1mL/kg)   National Technical Information Service. Vol. OTS0528418,
guinea pig LC50 inhalation 118mg/m3/1H (118mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0543418,
mouse LDLo oral 2500uL/kg (2.5mL/kg)   National Technical Information Service. Vol. OTS0528418,
rat LC50 inhalation 123mg/m3/4H (123mg/m3)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 334(86), 1986.
rat LD50 oral 4825mg/kg (4825mg/kg)   National Technical Information Service. Vol. OTS0530238,
rat LDLo skin 1mL/kg (1mL/kg)   National Technical Information Service. Vol. OTS0528418,