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Substance Name: Acetophenone
RN: 98-86-2
UNII: RK493WHV10
InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-O

Molecular Weight

  • 120.1502
 

Classification Codes

Classification Codes

  • Dermatologic Agents
  • Mutation Data
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (10 ppm)

Names and Synonyms

Name of Substance

  • Acetophenone

Synonyms

  • 1-Phenyl-1-ethanone
  • 1-Phenylethanone
  • Acetofenon
  • Acetofenon [Czech]
  • Acetophenon
  • Acetophenone
  • Acetylbenzene
  • Acetylbenzol
  • AI3-00575
  • Benzene, acetyl-
  • Benzoyl methide
  • Benzoylmethide
  • CCRIS 1341
  • EC 202-708-7
  • EINECS 202-708-7
  • Ethanone, 1-phenyl-
  • FEMA No. 2009
  • FEMA Number 2009
  • HSDB 969
  • Hypnone
  • Ketone, methyl phenyl
  • Methyl phenyl ketone
  • NSC 7635
  • Phenyl methyl ketone
  • RCRA waste number U004
  • UNII-RK493WHV10
  • USAF EK-496

Systematic Names

  • Acetophenone
  • Ethanone, 1-phenyl-

Superlist Names

  • Acetophenone
  • Ethanone, 1-phenyl-
  • RCRA waste no. U004

Registry Numbers

CAS Registry Number

  • 98-86-2

FDA UNII

  • RK493WHV10

System Generated Number

  • 0000098862

Structure Descriptors

InChI

1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

KWOLFJPFCHCOCG-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 20mL/kg (20mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mammal (species unspecified) LC50 inhalation 1200mg/m3 (1200mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 2700mg/kg (2700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 740mg/kg (740mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
mouse LDLo subcutaneous 330mg/kg (330mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.
rabbit LD50 skin 15900uL/kg (15.9mL/kg)   Union Carbide Data Sheet. Vol. 12/27/1971,
rat LC inhalation > 210ppm/8H (210ppm)   Union Carbide Data Sheet. Vol. 12/27/1971,
rat LD50 oral 815mg/kg (815mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20 deg C   EXP
Boiling Point 202 deg C   EXP
pKa Dissociation Constant 21.55 (none) 25 EXP
log P (octanol-water) 1.58 (none)   EXP
Water Solubility 6130 mg/L 25 EXP
Vapor Pressure 0.397 mm Hg 25 EXP
Henry's Law Constant 1.04E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.74E-12 cm3/molecule-sec 25 EXP

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