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8.18586 EMD Millipore

Isophorone diisocyanate

Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis. CAS 4098-71-9, molar mass 222.29 g/mol., (mixture of cis- and trans-isomers) for synthesis

Synonym: 5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate

  • CAS Number 4098-71-9

  • Linear Formula C₁₂H₁₈N₂O₂

  • Molecular Weight 222.29 g/mol

  •  EC Number 223-861-6



Related Categories Biochemicals and Reagents More...
packaging   25 kg in Steel barrel (8185869025)
  250 ml in Glass bottle (8185860250)
bp   158 - 159 °C (13 hPa)
expl. lim.     0.7 - 4.5 %(V)
vapor pressure   0.0004 hPa (20 °C)
solubility   0.015 g/l (slow decomposition)
density   1.06 g/cm3 (20 °C)
flash point   155 °C
autoignition temp.   430 °C
mp   -60 °C
LD 50 oral   LD50 Rat 4825 mg/kg
LD 50 dermal   LD50 Rat > 7000 mg/kg
shipped in   ambient
storage temp.   Store below +30°C.
specifications   Assay (GC, area%): ≥ 99.0 % (a/a)
  Density (d 20 °C/ 4 °C): 1.060 - 1.062
  Identity (IR): passes test

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Safety Information

HS Code 
2929 10 00
Hazard Statement(s) 
H315: Causes skin irritation.
H319: Causes serious eye irritation.
H331: Toxic if inhaled.
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335: May cause respiratory irritation.
H317: May cause an allergic skin reaction.
H411: Toxic to aquatic life with long lasting effects.
Precautionary Statement(s) 
P273: Avoid release to the environment.
P260: Do not breathe dust.
P302 + P352: IF ON SKIN: Wash with plenty of soap and water.
P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P308 + P310: IF exposed or concerned: immediately call a POISON CENTER or doctor/ physician.
Storage class 
6.1A Combustible substances, toxic
WGK 2 water endangering
Organic acid halides, anhydrides and isocyanates can be added dropwise to an excess of methanol (Cat. No. 822283) to convert them into the corresponding methyl esters or methyl carbamates. If necessary, neutralize with sodium hydroxide solution (Cat. No. 105587). Fill into container A.
Hazard Pictogram(s) 
GHS06  GHS06
Hazard Pictogram(s) 
GHS08  GHS08
Hazard Pictogram(s) 
GHS09  GHS09
Hazard Symbols 
Dangerous for the environment  Dangerous for the environment
Hazard Symbols 
Toxic  Toxic
Declaration (railroad and road) ADR, RID 
UN 2290 , 6.1, III
Declaration (transport by air) IATA-DGR 
UN 2290 , 6.1, III
Declaration (transport by sea) IMDG-Code 
UN 2290 , 6.1, III
Categories of danger 
toxic, irritant, sensitizing, dangerous for the environment
R Phrase 
R 23-36/37/38-42/43-51/53
Toxic by inhalation.Irritating to eyes, respiratory system and skin.May cause sensitisation by inhalation and skin contact.Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S Phrase 
S 26-28-38-45-61
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.After contact with skin, wash immediately with plenty of soap and water.In case of insufficient ventilation, wear suitable respiratory equipment.In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).Avoid release to the environment. Refer to special instructions/ Safety data sheets.
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