Description Catalogue Number 818586 Synonyms 5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate Product Information CAS number 4098-71-9 EC index number 615-008-00-5 EC number 223-861-6 Hill Formula C₁₂H₁₈N₂O₂ Molar Mass 222.29 g/mol HS Code 2929 10 00 Structure formula Image Applications Application Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis. CAS 4098-71-9, molar mass 222.29 g/mol. Physicochemical Information Boiling point 158 - 159 °C (13 hPa) Density 1.06 g/cm3 (20 °C) Explosion limit 0.7 - 4.5 %(V) Flash point 155 °C Ignition temperature 430 °C Melting Point -60 °C Vapor pressure 0.0004 hPa (20 °C) Solubility 0.015 g/l (slow decomposition) Toxicological Information LD 50 oral LD50 Rat 4825 mg/kg LD 50 dermal LD50 Rat > 7000 mg/kg Safety Information according to GHS Hazard Pictogram(s) 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. RTECS NQ9370000 Storage class 6.1A Combustible substances, toxic WGK WGK 2 water endangering Disposal 11 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. Safety Information Hazard Symbols Toxic Dangerous for the environment 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. Storage and Shipping Information Storage Store below +30°C. Transport Information 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 Specifications Assay (GC, area%) ≥ 99.0 % (a/a) Density (d 20 °C/ 4 °C) 1.060 - 1.062 Identity (IR) passes test