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Testing Status of Methyl trans-styryl ketone M950108

 

CASRN: 1896-62-4

Formula: C10-H10-O

Synonyms/Common Names

  • 3-Buten-2-one, 4-phenyl-
  • trans-benzalacetone
  • trans-methyl styryl ketone
  • trans-4-phenyl-3-buten-2-one

Known Uses

Reactive carbonyl compound used in organic synthetic reactions such as intermediate in organic synthesis, electroplating chemical; pharmaceutical intermediate, biochemical reagent, agricultural chemical intermediate, proposed sunscreen intermediate. Used as flavoring and fragrance additive. Associated with tobacco: reported either as a natural component of tobacco, pyrolysis product (in tobacco smoke), or additive for one or more types of tobacco products.

Chemical Properties

Toxicity Effects (HSDB)

Short-Term Toxicity

  • 13 weeks (Dosed-Feed)  (C95003B)  Completed 
    • Rats: F344/N; Mice: B6C3F1
    • Dose: R&M: 0, .025, .05, .1, .2, or .4%; 10/sex/species/dose.
  • 13 weeks (Topical Application)  (C95003)  Completed 
    • Rats: F344/N; Mice: B6C3F1
    • Dose: R: 0, 22, 44, 87.5, 175, or 350 mg/kg M: 0, 87.5, 175, 350, 700, or 1400 mg/kg; 10/sex/species/dose.

Long-Term Carcinogenicity

  • 2 years (Topical Application)  (C95003C)  Completed 
    • TR-572 (NIH Number: 11-5914)  (Peer Review Approval 01/26/2011A )
      Toxicology and Carcinogenesis Studies of Methyl trans-Styryl Ketone (CASRN 1896-62-4) in F344/N Rats and B6C3F1 Mice (Feed and Dermal Studies)
    • Rats: F344/N; Mice: B6C3F1/N
    • Carcinogenesis Results
      • Male Rats No Evidence 
      • Female Rats No Evidence 
      • Male Mice No Evidence 
      • Female Mice No Evidence 
    • Dose: R&M: 0, 10, 30, or 90 mg/kg; 50/sex/species/dose.

Special Studies

  • Absorption Disposition Metabolism Elimination (Gavage; Intravenous; Topical Application)  (S0605)  Completed 
    • Citation: Sauer JM, Bao J, Smith RL, Kuester RK, Mayersohn M, Sipes IG. Absorption, disposition, and metabolism of trans-methyl styryl ketone in female B6C3F1 mice. Drug Metab Dispos. 1997 Oct;25(10):1184-90.Pubmed Abstract
    • Citation: Sauer JM, Smith RL, Bao J, Kattnig MJ, Kuester RK, McClure TD, Mayersohn M, Sipes IG. Oral and topical absorption, disposition kinetics, and the metabolic fate of trans-methyl styryl ketone in the male Fischer 344 rat. Drug Metab Dispos. 1997 Jun;25(6):732-9.Pubmed Abstract
    • Male and Female Rats: F344/N; Male and Female Mice: B6C3F1; Male and Female Rats: F344/N; Male and Female Mice: B6C3F1; Male and Female Rats: F344/N; Male and Female Mice: B6C3F1
  • Absorption Disposition Metabolism Elimination (Intravenous)  (S0843)  Completed 
    • Citation: Final Report Chemical Disposition in Mammals. 03/15/98 - 06/30/99.
    • Male Rats: F344/N
    • Dose: 20 mg/kg; 120 uCi/ml or 20 mg/kg; 10 uCi/ml in methyl cellulose emulphor:ethanol:saline, 3:4:12 (v/v/v).
  • Metabolism (Gavage; Intravenous; Topical Application)  (S0804)  Completed 
    • Citation: Sauer JM, Smith RL, Bao J, Kattnig MJ, Kuester RK, McClure TD, Mayersohn M, Sipes IG. Oral and topical absorption, disposition kinetics, and the metabolic fate of trans-methyl styryl ketone in the male Fischer 344 rat. Drug Metab Dispos. 1997 Jun;25(6):732-9.Pubmed Abstract
    • Male Rats: F344/N
    • Dose: IV admin: [14C]MSK (20 mg/kg, 120 uCi/kg) in emulphor/ethanol/saline(3:4:12, v/v/v); Oral admin: [14C]MSK (200 mg/kg, 100 uCi/kg) in 0.5% methyl cellulose (5 ml/kg); Dermal admin: 100 ul of [14C]MSK (250 mg/kg, 50 uCi/kg) in acetone.
  • Metabolism (Gavage; Intravenous; Topical Application)  (S0805)  Completed 
    • Citation: Sauer JM, Bao J, Smith RL, Kuester RK, Mayersohn M, Sipes IG. Absorption, disposition, and metabolism of trans-methyl styryl ketone in female B6C3F1 mice. Drug Metab Dispos. 1997 Oct;25(10):1184-90.Pubmed Abstract
    • Female Mice: B6C3F1
    • Dose: [14C]MSK (20 mg/kg, 120 uCi/kg), in emulphor:ethanol:saline, 3:4:12 (v/v/v) was administered via the tail vein (4 ml/kg) - I.V. admin.; [14C]MSK (200 mg/kg, 100 uCi/kg) in 0.5% methyl cellulose (5 ml/kg) was administered orally by gavage; [14C]MSK (250 mg/kg, 50 uCi/kg) in 10 ul acetone - topical (dermal) admin.

Genetic Toxicology

  • Micronucleus  (A86423)  Completed 
    • Mice: B6C3F1
    • Male Negative 
    • Female Negative 
  • Micronucleus  (A92009)  Completed 
    • Mice: B6C3F1
    • Male Negative 
    • Female Negative 
  • Salmonella  (A17064)  Completed 
    •  Positive