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Isophorone diisocyanate  Structure

Isophorone diisocyanate

Chemical Properties

Melting point -60°C
Boiling point 158-159 °C15 mm Hg(lit.)
Density  1.049 g/mL at 25 °C(lit.)
vapor pressure  0.0004 hPa (20 °C)
refractive index  n20/D 1.484(lit.)
Flash point >230 °F
storage temp.  Store below +30°C.
solubility  Miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.
form  Liquid
color  Clear colorless to slightly yellow
explosive limit 0.7-4.5%(V)
Water Solubility  <0.1 g/100 mL at 25 ºC
Sensitive  Moisture Sensitive
BRN  2726467
Exposure limits TLV-TWA 0.0454 mg/m3 (0.005 ppm) (ACGIH and NIOSH); ceiling 0.181 mg/m3 (0.02 ppm)/10 min (NIOSH). .
Stability Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive.
InChIKey NIMLQBUJDJZYEJ-UHFFFAOYSA-N
LogP 4.75 at 25℃
Indirect Additives used in Food Contact Substances 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE
FDA 21 CFR 177.1680
CAS DataBase Reference 4098-71-9(CAS DataBase Reference)
EWG's Food Scores 6
FDA UNII 43B0856528
EPA Substance Registry System Isophorone diisocyanate (4098-71-9)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H315-H317-H319-H330-H334-H335-H411
Precautionary statements P260-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338
Hazard Codes  T,N
Risk Statements  23-36/37/38-42/43-51/53-22
Safety Statements  26-28-38-45-61
RIDADR  UN 2290 6.1/PG 3
OEB D
OEL TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin]
WGK Germany  2
RTECS  NQ9370000
Autoignition Temperature 430 °C
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29291090
Hazardous Substances Data 4098-71-9(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg
NFPA 704:
1
2 1

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