CAS 4098-71-9|UNII:43B0856528
| Common Name | UNII:43B0856528 | ||
|---|---|---|---|
| CAS Number | 4098-71-9 | Molecular Weight | 222.283 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 286.9±13.0 °C at 760 mmHg |
| Molecular Formula | C12H18N2O2 | Melting Point | -60°C |
| MSDS | ChineseUSA | Flash Point | 116.0±25.2 °C |
| Symbol | GHS06, GHS08, GHS09 | Signal Word | Danger |
Names
| Name | isophorone diisocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 286.9±13.0 °C at 760 mmHg |
| Melting Point | -60°C |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.283 |
| Flash Point | 116.0±25.2 °C |
| Exact Mass | 222.136826 |
| PSA | 58.86000 |
| LogP | 4.67 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.520 |
| InChIKey | NIMLQBUJDJZYEJ-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1 |
| Stability | Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive. |
| Water Solubility | <0.1 g/100 mL at 25 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4825 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530238
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 123 mg/m3/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,334(86),1986
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528418
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528418
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 1 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528418
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 118 mg/m3/1H
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0543418 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1370 ug/m3/4H/4W-I
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528418 *** REVIEWS *** ACGIH TLV-TWA 0.045 mg/m3 (0.005 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-BELGIUM:TWA 0.005 ppm (0.045 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 0.005 ppm (0.045 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 0.010 ppm (0.09 mg/m3);STEL 0.020 ppm JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.09 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.01 ppm (0.09 mg/m3);Skin JAN 1993 OEL-SWEDEN:TWA 0.005 ppm (0.05 mg/m3);STEL 0.01 ppm (0.09 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.01 ppm (0.09 mg/m3);STEL 0.02 ppm JAN 1993 OEL-UNITED KINGDOM:TWA 0.02 mg/m3;STEL 0.07 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO IPDI-air:10H TWA 0.005 ppm (Sk);STEL 0.02 ppm (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83571 No. of Facilities: 111 (estimated) No. of Industries: 4 No. of Occupations: 19 No. of Employees: 3441 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83571 No. of Facilities: 1186 (estimated) No. of Industries: 15 No. of Occupations: 16 No. of Employees: 7245 (estimated) No. of Female Employees: 682 (estimated)
Safety Information
| Symbol | GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H317-H319-H330-H334-H335-H411 |
| Precautionary Statements | P260-P280-P284-P304 + P340 + P310-P342 + P311-P403 + P233 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic;N:Dangerousfortheenvironment; |
| Risk Phrases | R22;R36/37/38;R42/43;R51/53 |
| Safety Phrases | S26-S28-S38-S45-S61 |
| RIDADR | UN 2290 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | NQ9370000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2929109000 |
Customs
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate |
| 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane |
| Isophorone diisocyanate |
| Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl- |
| EINECS 223-861-6 |
| UNII:43B0856528 |
| MFCD00064956 |
| IPDI |
