Cumene

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Names

[ CAS No. ]:
98-82-8

[ Name ]:
Cumene

[Synonym ]:
(1-Methylethyl)sulfamic Acid
2-Phenylpropane
2-Phenyl propane
Sulfamic acid,(1-methylethyl)
isopropyl-amidosulfuric acid
isopropyl-sulfamic acid
Isopropylbenzene
propan-2-ylbenzene
Cumene
MFCD00008881
i-propylbenzene
methyl-ethyl-benzene
Propane, 2-phenyl-
Isopropyl-amidoschwefelsaeure
isopropylaminosulfonic acid
isopropyl-benzene
METHYLETHYLBENZENE
(propan-2-yl)benzene
Benzene, isopropyl-
Schwefelsaeure-mono-isopropylamid
Isopropylsulphamic acid
iPr-benzene
Benzene, (1-methylethyl)-
Sulfamic acid,N-(1-methylethyl)
Isopropylbenzen
EINECS 202-704-5

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
152 °C at 760 mmHg

[ Melting Point ]:
−96 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂

[ Molecular Weight ]:
120.192

[ Flash Point ]:
46.1±0.0 °C

[ Exact Mass ]:
120.093903

[ LogP ]:
3.56

[ Vapour density ]:
4.1 (vs air)

[ Vapour Pressure ]:
4.5±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.491

[ Stability ]:
Stable, but may form peroxides in storage if in contact with the air. Test for the presence of peroxides before heating or distilling. Combustible. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GR8575000

CHEMICAL NAME :: Cumene

CAS REGISTRY NUMBER :: 98-82-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 43

MOLECULAR FORMULA :: C9-H12

MOLECULAR WEIGHT :: 120.21

WISWESSER LINE NOTATION :: 1Y1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,33,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 14,387,1956

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,33,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 200 ppm

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic Behavioral - irritability

REFERENCE :: TGNCDL "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961 Volume(issue)/page/year: 2,39,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Gastrointestinal - gastritis

REFERENCE :: AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 14,387,1956

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8000 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(9),18,1971

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 gm/m3/7H

TOXIC EFFECTS :: Liver - multiple effects Kidney, Ureter, Bladder - changes in both tubules and glomeruli Blood - changes in spleen

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,264,1944

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12300 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1200 ppm/6H/13W-I

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0522342 *** REVIEWS *** ACGIH TLV-TWA 246 mg/m3 (50 ppm) (skin) 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 50 ppm (245 mg/m3) (skin) DTLWS* "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8. Volume(issue)/page/year: 3,14,1973 OSHA PEL (Gen Indu):8H TWA 50 ppm (245 mg/m3) (skin) 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):8H TWA 50 ppm (245 mg/m3) (skin) 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):8H TWA 50 ppm (245 mg/m3) (skin) 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):8H TWA 50 ppm (245 mg/m3) (skin) 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-AUSTRALIA:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-AUSTRIA:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 50 ppm (246 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 50 ppm (245 mg/m3);STEL 75 ppm (370 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-HUNGARY:TWA 80 mg/m3;STEL 100 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-RUSSIA:STEL 50 mg/m3 JAN 1993 OEL-SWEDEN:TWA 25 ppm (120 mg/m3);STEL 35 ppm (170 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (245 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (245 mg/m3);STEL 75 ppm;Skin 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 CUMENE-air:10H TWA 50 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 - 20850 No. of Facilities: 24 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 669 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 20850 No. of Facilities: 1199 (estimated) No. of Industries: 15 No. of Occupations: 24 No. of Employees: 14268 (estimated) No. of Female Employees: 2760 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H304-H335-H411

[ Precautionary Statements ]:
P210-P301 + P310-P331-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R10;R37;R51/53;R65

[ Safety Phrases ]:
S24-S37-S61-S62

[ RIDADR ]:
UN 1918 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
GR8575000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2902700000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

α-Cumyl alcohol
1-Bromopropane
benzene
α-methylstyrene
hyacinth butanal
diphenylzinc
zinc,propane
2,2-dimethyl-5-(1-methyl-1-phenylethyl)-1,3-dioxane-4,6-dione
2-Bromopropane

DownStream

2,4-DIISOPROPYLBENZOIC ACID
1,4-Diisopropylbenzene
4-(4-ISOPROPYLPHENYL)BUTAN-2-ONE
Benzylacetone
(1S,2R)-(+)-TRANS-2-(1-METHYL-1-PHENYLETHYL)CYCLOHEXANOL
6-Oxodecanoic acid
4-Isopropylaniline
3-Isopropylaniline
ISOPROPYLANILINE

Customs

[ HS Code ]: 2902700000

[ Summary ]:
2902700000 cumene。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:2.0%。general tariff:30.0%

Articles

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QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

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Org. Biomol. Chem. 13(8) , 2317-22, (2015)

The synthesis of water-dispersible nano-assemblies containing upconverting nanoparticles (UCNPs) and porphyrin molecules using a one-pot method is described. When the nano-assemblies are excited by 98...

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<2H6>cumene
<2H6>cumene
cumene dimer
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2-(5,5-Dimethyl-1,3-dioxan-2-yl)aceticacid
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4,5-dibromo-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-Pyridazinone
Ethyl I+/-,I+/--difluoro-3-furanacetate
4-(4-Tert-butylphenyl)pyrrolidin-2-one

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