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Substance Name: alpha-Methylstyrene
RN: 98-83-9
UNII: D46R9753IK
InChIKey: XYLMUPLGERFSHI-UHFFFAOYSA-N

Molecular Formula

  • C9-H10

Molecular Weight

  • 118.178
 

Classification Codes

Classification Codes

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

Superlist Classification Codes

  • Ceiling 100 ppm (480 mg/m3)
  • TWA (50 ppm); STEL (100 ppm)

Names and Synonyms

Name of Substance

  • alpha-Methylstyrene
  • alpha-Methylstyrol

Synonyms

  • 1-Methyl-1-phenylethene
  • 1-Methyl-1-phenylethylene
  • 1-MethylethenylBenzine
  • 1-Methylethylenebenzene
  • 1-Phenyl-1-methylethylene
  • 1-Propene, 2-phenyl-
  • 2-Phenyl-1-propene
  • 2-Phenylpropene
  • 2-Phenylpropylene
  • AI3-18133
  • alpha Methylstyrene
  • alpha-Methyl-styrol
  • alpha-Methyl-styrol [German]
  • alpha-Methylstyreen
  • alpha-Methylstyreen [Dutch]
  • alpha-Methylstyrene
  • alpha-Methylstyrol
  • alpha-Metil-stirolo
  • alpha-Metil-stirolo [Italian]
  • as-Methylphenylethylene
  • Benzene, (1-methylethenyl)-
  • beta-Phenylpropene
  • beta-Phenylpropylene
  • CCRIS 6067
  • EC 202-705-0
  • EINECS 202-705-0
  • HSDB 196
  • Isopropenil-benzolo
  • Isopropenil-benzolo [Italian]
  • Isopropenyl-benzeen
  • Isopropenyl-benzeen [Dutch]
  • Isopropenyl-benzol
  • Isopropenyl-benzol [German]
  • Isopropenylbenzene
  • NSC 9400
  • UNII-D46R9753IK

Systematic Names

  • 2-Phenylpropene
  • alpha-Methylstyrene
  • Benzene, (1-methylethenyl)-
  • Styrene, alpha-methyl-

Superlist Names

  • (1-Methylethenyl)benzene
  • 2-Phenylpropene
  • alpha-Methyl styrene
  • alpha-Methylstyrene
  • Isopropenylbenzene
  • Isopropenylbenzene [UN2303] [Flammable liquid]
  • Styrene, alpha-methyl-
  • UN2303

Registry Numbers

CAS Registry Number

  • 98-83-9

FDA UNII

  • D46R9753IK

System Generated Number

  • 0000098839

Structure Descriptors

InChI

1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3

InChIKey

XYLMUPLGERFSHI-UHFFFAOYSA-N

Smiles

CC(=C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 3000ppm (3000ppm)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 131, 1960.
human TCLo inhalation 600ppm (600ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.
mouse LD50 oral 4500mg/kg (4500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(12), Pg. 14, 1963.
rabbit LDLo skin 16mL/kg (16mL/kg)   Union Carbide Data Sheet. Vol. 5/24/1977,
rat LCLo inhalation 3000ppm (3000ppm)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 131, 1960.
rat LD50 oral 4900mg/kg (4900mg/kg)   AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.32E+01 deg C   EXP
Boiling Point 165.4 deg C   EXP
log P (octanol-water) 3.48 (none)   EXP
Water Solubility 116 mg/L 25 EXP
Henry's Law Constant 2.55E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.20E-11 cm3/molecule-sec 25 EXP

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