4,4'-Diphenylmethane diisocyanate

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Names

[ CAS No. ]:
101-68-8

[ Name ]:
4,4'-Diphenylmethane diisocyanate

[Synonym ]:
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

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

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.

[ Water Solubility ]:
decomposes

[ Freezing Point ]:
37℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ9350000

CHEMICAL NAME :: Isocyanic acid, methylenedi-p-phenylene ester

CAS REGISTRY NUMBER :: 101-68-8

BEILSTEIN REFERENCE NO. :: 0797662

LAST UPDATED :: 199806

DATA ITEMS CITED :: 46

MOLECULAR FORMULA :: C15-H10-N2-O2

MOLECULAR WEIGHT :: 250.27

WISWESSER LINE NOTATION :: OCNR D1R DNCO

HEALTH HAZARD DATA

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)

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Carbamic acid,N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-dimethyl ester
phosgene
4,4′-methylenedianiline
diphenyl (methylenedi-4,1-phenylene)-dicarbamate
N,N'-(methanediyl-di-4,4'-phenyl)-bis(carbamic acid(2-phenylphenyl) ester)

DownStream

diphenyl (methylenedi-4,1-phenylene)-dicarbamate
2-isocyanatoethoxy(trimethyl)silane
Triethyl phosphate
1,1,1',1'-Tetramethyl-4,4'-(methylene-di-p-phenylene)disemicarbazide
N,N'-(Methylenedi-p-phenylene)bis(aziridine-1-carboxamide)
diethyl (methylenedi-4,1-phenylene)dicarbamate
4,4′-methylenedianiline
Carbamic acid,N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-dimethyl ester
isocyanatooxy(trimethyl)silane
Urea,N,N''-(methylenedi-4,1-phenylene)bis[N'-cyclohexyl-

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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,...

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