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Substance Name: Cumene
RN: 98-82-8
UNII: 8Q54S3XE7K
InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Reasonably Anticipated to be a Human Carcinogen.
  • Reportable Quantity (RQ) = 5000 lb
  • TWA 50 ppm
  • TWA 50 ppm (245 mg/m3); skin

Names and Synonyms

Name of Substance

  • Cumene

Synonyms

  • (1-Methylethyl)benzene
  • 2-Fenilpropano
  • 2-Fenilpropano [Italian]
  • 2-Fenyl-propaan
  • 2-Fenyl-propaan [Dutch]
  • 2-Phenylpropane
  • AI3-04630
  • Benzene, isopropyl
  • CCRIS 9455
  • Cumeen
  • Cumeen [Dutch]
  • Cumene
  • Cumol
  • EC 202-704-5
  • EINECS 202-704-5
  • HSDB 172
  • Isopropilbenzene
  • Isopropilbenzene [Italian]
  • Isopropyl-benzol
  • Isopropyl-benzol [German]
  • Isopropylbenzeen
  • Isopropylbenzeen [Dutch]
  • Isopropylbenzene
  • Isopropylbenzol
  • NSC 8776
  • Propane, 2-phenyl
  • RCRA waste number U055
  • UNII-8Q54S3XE7K

Systematic Names

  • Benzene, (1-methylethyl)-
  • Cumene

Superlist Names

  • Benzene, (1-methylethyl)-
  • Benzene, 1-methylethyl-
  • Cumene
  • Isopropylbenzene
  • Isopropylbenzene [UN1918] [Flammable liquid]
  • RCRA waste no. U055
  • UN1918

Registry Numbers

CAS Registry Number

  • 98-82-8

FDA UNII

  • 8Q54S3XE7K

System Generated Number

  • 0000098828

Structure Descriptors

InChI

1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

RWGFKTVRMDUZSP-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 200ppm (200ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: IRRITABILITY
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 39, 1961.
mouse LC50 inhalation 10gm/m3/7H (10000mg/m3) BLOOD: CHANGES IN SPLEEN

LIVER: MULTIPLE EFFECTS

KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 264, 1944.
mouse LD50 oral 12750mg/kg (12750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.
rabbit LD50 skin 12300uL/kg (12.3mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 1400mg/kg (1400mg/kg) GASTROINTESTINAL: GASTRITIS AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.60E+01 deg C   EXP
Boiling Point 152.4 deg C   EXP
log P (octanol-water) 3.66 (none)   EXP
Water Solubility 61.3 mg/L 25 EXP
Vapor Pressure 4.5 mm Hg 25 EXP
Henry's Law Constant 0.0115 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.50E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.