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Substance Name: Ethylbenzene
RN: 100-41-4
UNII: L5I45M5G0O
InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H10

Molecular Weight

  • 106.167
 

Classification Codes

Classification Codes

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

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 99
  • 2011 CERCLA Priority List, Rank: 116
  • Overall Carcinogenic Evaluation: 2B
  • Reportable Quantity (RQ) = 1000 lb
  • TWA (100 ppm); STEL (125 ppm); Confirmed animal carcinogen with unknown relevance to humans; BEI
  • TWA 100 ppm (435 mg/m3)

Names and Synonyms

Name of Substance

  • Ethylbenzene

Synonyms

  • Aethylbenzol
  • Aethylbenzol [German]
  • AI3-09057
  • Benzene, ethyl-
  • CCRIS 916
  • EB
  • EC 202-849-4
  • EINECS 202-849-4
  • Ethyl benzene
  • Ethylbenzeen
  • Ethylbenzeen [Dutch]
  • Ethylbenzene
  • Ethylbenzol
  • Etilbenzene
  • Etilbenzene [Italian]
  • Etylobenzen
  • Etylobenzen [Polish]
  • HSDB 84
  • NCI-C56393
  • NSC 406903
  • Phenylethane
  • UNII-L5I45M5G0O

Systematic Names

  • Benzene, ethyl-
  • Ethylbenzene

Superlist Names

  • Benzene, ethyl-
  • Ethyl benzene
  • Ethylbenzene
  • Ethylbenzene [UN1175] [Flammable liquid]
  • UN1175

Registry Numbers

CAS Registry Number

  • 100-41-4

FDA UNII

  • L5I45M5G0O

System Generated Number

  • 0000100414

Structure Descriptors

InChI

1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

Smiles

CCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 10000ppm (10000ppm) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Public Health Reports. Vol. 45, Pg. 1241, 1930.
human TCLo inhalation 100ppm/8H (100ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SLEEP

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
American Industrial Hygiene Association Journal. Vol. 31, Pg. 206, 1970.
mouse LCLo inhalation 50gm/m3/2H (50000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 5(5), Pg. 3, 1961.
mouse LD50 intraperitoneal 2624uL/kg (2.624mL/kg)   Archives of Toxicology. Vol. 58, Pg. 106, 1985.
rabbit LD50 skin 17800uL/kg (17.8mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 803, 1975.
rat LCLo inhalation 4000ppm/4H (4000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3500mg/kg (3500mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: OTHER CHANGES
AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.49E+01 deg C   EXP
Boiling Point 136.1 deg C   EXP
log P (octanol-water) 3.15 (none)   EXP
Water Solubility 169 mg/L 25 EXP
Vapor Pressure 9.6 mm Hg 25 EXP
Henry's Law Constant 0.00788 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.10E-12 cm3/molecule-sec 25 EXP

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