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Substance Name: 4-Isopropyl phenylacetaldehyde
RN: 4395-92-0
UNII: 5KQW56W3YJ
InChIKey: FSKGFRBHGXIDSA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H14-O

Molecular Weight

  • 162.231
 
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Names and Synonyms

Name of Substance

  • 4-Isopropyl phenylacetaldehyde

Synonyms

  • 4-(1-Methylethyl)benzeneacetaldehyde
  • 4-07-00-00747 (Beilstein Handbook Reference)
  • 4-Isopropyl phenylacetaldehyde
  • Acetaldehyde, (p-isopropylphenyl)-
  • Benzeneacetaldehyde, 4-(1-methylethyl)-
  • BRN 2246668
  • Cortexal
  • Cuminic acetaldehyde
  • Cumyl acetaldehyde
  • Cumylacetaldehyde
  • EINECS 224-522-5
  • FEMA No. 2954
  • p-Cymene-7-carboxaldehyde
  • P-isopropyl phenylacetaldehyde
  • p-Isopropylphenylacetaldehyde
  • Para-isopropyl phenylacetaldehyde
  • UNII-5KQW56W3YJ

Systematic Names

  • 4-Isopropylphenylacetaldehyde
  • Acetaldehyde, (p-isopropylphenyl)-
  • Benzeneacetaldehyde, 4-(1-methylethyl)-

Superlist Name

  • Isopropylphenylacetaldehyde, p-

Registry Numbers

CAS Registry Number

  • 4395-92-0

FDA UNII

  • 5KQW56W3YJ

System Generated Number

  • 0004395920

Structure Descriptors

InChI

InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3

InChIKey

FSKGFRBHGXIDSA-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(CC=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979.
rat LD50 oral 4100mg/kg (4100mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979.