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Substance Name: Lilial
RN: 80-54-6
UNII: T7540GJV69
InChIKey: SDQFDHOLCGWZPU-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C14-H20-O

Molecular Weight

  • 204.311
 
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Names and Synonyms

Name of Substance

  • Lilial

Synonyms

  • 4-07-00-00802 (Beilstein Handbook Reference)
  • AI3-36196
  • alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde
  • alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde
  • Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-
  • BRN 0880140
  • EC 201-289-8
  • EINECS 201-289-8
  • Lilial
  • Lilyal
  • NSC 22275
  • p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde
  • p-tert-Butyl-alpha-methylhydrocinnamaldehyde
  • p-tert-Butyl-alpha-methylhydrocinnamic aldehyde
  • Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-
  • UNII-T7540GJV69

Systematic Names

  • 2-(4-tert-Butylbenzyl)propionaldehyde
  • Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-
  • Hydrocinnamaldehyde, p-tert-butyl-alpha-methyl-

Superlist Name

  • Hydrocinnamaldehyde, p-tert-butyl-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 80-54-6

FDA UNII

  • T7540GJV69

Other Registry Numbers

  • 39390-70-0
  • 75166-25-5

System Generated Number

  • 0000080546

Structure Descriptors

InChI

InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3

InChIKey

SDQFDHOLCGWZPU-UHFFFAOYSA-N

Smiles

CC(Cc1ccc(cc1)C(C)(C)C)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0535449,
rat LD50 oral 1390mg/kg (1390mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0535449,