CAS 101-68-8|4,4'-Diphenylmethane diisocyanate
| Common Name | 4,4'-Diphenylmethane diisocyanate | ||
|---|---|---|---|
| CAS Number | 101-68-8 | Molecular Weight | 250.252 |
| Density | 1.19 | Boiling Point | 392 ºC |
| Molecular Formula | C15H10N2O2 | Melting Point | 38-44 °C |
| MSDS | ChineseUSA | Flash Point | 196 ºC |
| Symbol | GHS07, GHS08 | Signal Word | Danger |
Names
| Name | diphenylmethane-4,4'-diisocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.19 |
|---|---|
| Boiling Point | 392 ºC |
| Melting Point | 38-44 °C |
| Molecular Formula | C15H10N2O2 |
| Molecular Weight | 250.252 |
| Flash Point | 196 ºC |
| Exact Mass | 250.074234 |
| PSA | 58.86000 |
| LogP | 4.93 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.588 |
| InChIKey | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
| SMILES | O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols. |
| Water Solubility | decomposes |
| Freezing Point | 37℃ |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 130 ppb/30M
- TOXIC EFFECTS :
- Immunological Including Allergic - increased immune response Nutritional and Gross Metabolic - body temperature increase
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - body temperature decrease
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 178 mg/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 mg/m3/18H/90D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - other changes Blood - other changes
- TYPE OF TEST :
- DNA damage
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 36,37,1987 *** REVIEWS *** ACGIH TLV-TWA 0.051 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 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 19,303,1979 IARC Cancer Review:Animal No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 19,303,1979 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD:air-CL 0.02 ppm (0.2 mg/m3) 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: 3,170,1971 OSHA PEL (Gen Indu):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-BELGIUM:TWA 0.005 ppm (0.051 mg/m3);STEL 0.02 ppm JAN 1993 OEL-DENMARK:TWA 0.005 ppm (0.050 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.01 ppm (0.1 mg/m3);STEL 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.1 mg/m3) JAN 1993 OEL-HUNGARY:TWA 0.05 mg/m3;STEL 0.1 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-POLAND:TWA 0.05 mg/m3 JAN 1993 OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993 OEL-SWEDEN:TWA 0.005 ppm (0.05 mg/m3);STEL 0.01 ppm (0.1 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.01 ppm (0.1 mg/m3);STEL 0.02 ppm JAN 1993 OEL-THAILAND:TWA 0.02 ppm (0.2 mg/m3) 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 MDI-air:10H TWA 0.005 ppm;CL 0.02 ppm/10M 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 27780 No. of Facilities: 2896 (estimated) No. of Industries: 41 No. of Occupations: 48 No. of Employees: 53321 (estimated) No. of Female Employees: 13421 (estimated)
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 36,37,1987 *** REVIEWS *** ACGIH TLV-TWA 0.051 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 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 19,303,1979 IARC Cancer Review:Animal No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 19,303,1979 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD:air-CL 0.02 ppm (0.2 mg/m3) 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: 3,170,1971 OSHA PEL (Gen Indu):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):CL 0.02 ppm (0.2 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-BELGIUM:TWA 0.005 ppm (0.051 mg/m3);STEL 0.02 ppm JAN 1993 OEL-DENMARK:TWA 0.005 ppm (0.050 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.01 ppm (0.1 mg/m3);STEL 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.1 mg/m3) JAN 1993 OEL-HUNGARY:TWA 0.05 mg/m3;STEL 0.1 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 0.02 ppm (0.2 mg/m3) JAN 1993 OEL-POLAND:TWA 0.05 mg/m3 JAN 1993 OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993 OEL-SWEDEN:TWA 0.005 ppm (0.05 mg/m3);STEL 0.01 ppm (0.1 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.01 ppm (0.1 mg/m3);STEL 0.02 ppm JAN 1993 OEL-THAILAND:TWA 0.02 ppm (0.2 mg/m3) 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 MDI-air:10H TWA 0.005 ppm;CL 0.02 ppm/10M 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 27780 No. of Facilities: 2896 (estimated) No. of Industries: 41 No. of Occupations: 48 No. of Employees: 53321 (estimated) No. of Female Employees: 13421 (estimated)
Safety Information
| Symbol | GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H317-H319-H332-H334-H335-H351-H373 |
| Precautionary Statements | P261-P280-P284-P304 + P340 + P312-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20;R36/37/38;R42/43 |
| Safety Phrases | S23;S36/37;S45 |
| RIDADR | UN 2811 |
| RTECS | NQ9350000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29291090 |
Customs
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
Articles29
More Articles| Role of dermal exposure in systemic intake of methylenediphenyl diisocyanate (MDI) among construction and boat building workers. Toxicol. Lett. 232(3) , 595-600, (2015) The causal relationship between inhalation exposure to methylenediphenyl diisocyanate (MDI) and the risk of occupational asthma is well known, but the role of dermal exposure and dermal uptake of MDI ... | |
| Development of sandwich ELISAs for the detection of aromatic diisocyanate adducts J. Immunol. Methods 397(1-2) , 66-70, (2013) Diisocyanates (dNCOs) are highly reactive low molecular weight chemicals commonly used in the manufacturing industry. Occupational exposures to dNCOs have been shown to elicit allergic sensitization a... | |
| Genetic variants in antioxidant genes are associated with diisocyanate-induced asthma. Toxicol. Sci. 129(1) , 166-73, (2012) Diisocyanates are a common cause of occupational asthma, but risk factors are not well defined. A case-control study was conducted to investigate whether genetic variants of antioxidant defense genes,... |
Synonyms
| EINECS 202-966-0 |
| 4,4′-Methylenebis(phenyl isocyanate) |
| 4,4'-Methylenediphenyl diisocyanate |
| 4,4'-Methylenebis(phenyl isocyanate) |
| diphenylmethane-4,4'-diisocyanate |
| MFCD00036131 |
| desmodur44 |
| caradate30 |
| MDI |
| hylenem50 |
| methylene 4,4'-diphenyl diisocyanate |
| 1,1'-Methylenebis(4-isocyanatobenzene) |
| p,p'-diphenylmethane diisocyanate |
| 4,4'-Diisocyanatodiphenylmethane |
| Benzene, 1,1'-methylenebis[4-isocyanato- |
| Methylene diphenyl diisocyanate |
| Methylene di-p-phenyl diisocyanate,flakes |
| PMDI |
| 4,4-Diphenylmethane Diisocyanate |
| bis(4-isocyanatophenyl)methane |
| 4,4'-diphenylmethanediisocyanate |
| 1,1'-methanediylbis(4-isocyanatobenzene) |
| Methylenediphenyl 4,4'-Diisocyanate |
| 4,4'-Diphenylmethane diisocyanate |
| 4,4'-MDI |
| Isonate |
| 4,4'-Methylenediphenyl isocyanate |
| methylene |
| 4,4'-methylene bisphenyl diisocyanate |
