isophorone diisocyanate (mixture of isomers)

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cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-

CAS: 4098-71-9 C12 H18 N2 O2 MW: 222.28786000

Identification

Nameisophorone diisocyanate (mixture of isomers)
IUPAC5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
CAS Number4098-71-9
EINECS223-861-6
FDA UNII43B0856528
Molecular FormulaC12 H18 N2 O2
Molecular Weight222.28786000
MDL NumberMFCD00064956
Nikkaji NumberJ53.651B
Beilstein2726467

Regulatory

FDA/DG SANTE Petitions, Reviews, NoticesFCN 1060
DG SANTE Food Contact Materials1-isocyanato-3-isocyanatomethyl-3,5,5-trimethylcyclohexane
FDA Mainterm (IAUFC)4098-71-9 ; 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.06300 to 1.06500 @ 20.00 °C.
Pounds per Gallon - (est). 8.856 to 8.872
Refractive Index 1.48300 to 1.48500 @ 20.00 °C.
Flash Point > 230.00 °F. TCC ( > 110.00 °C. )
Soluble in water, 2.928 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityoral-cat LD50 1 mL/kg
Dermal Toxicityskin-rat LDLo 1 mL/kg
Inhalation Toxicityinhalation-guinea pig LC50 118 mg/m3/1H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryindirect food additives: adhesives and components of coatings
Recommendation for isophorone diisocyanate (mixture of isomers) usage levels up tonot for fragrance use.
Recommendation for isophorone diisocyanate (mixture of isomers) flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

5-iso cyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane 1-iso cyanato-3-isocyanatomethyl-3,5,5-trimethylcyclohexane iso cyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl- iso phoronediisocyanate Try the PubMed Search.