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Substance Name: Cuminyl acetate
RN: 59230-57-8
InChIKey: QBCRVYRADYXNOW-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Results Name

  • Cuminyl acetate

Synonyms

  • 3-06-00-01912 (Beilstein Handbook Reference)
  • 4-(1-Methylethyl)benzenemethanol acetate
  • 4-Isopropylbenzyl acetate
  • Benzenemethanol, 4-(1-methylethyl)-, acetate
  • BRN 1950785
  • Cuminyl acetate
  • EINECS 261-671-5
  • p-Cymen-7-ol acetate
  • p-Cymene-7-ol acetate
  • p-Isopropylbenzyl acetate

Systematic Names

  • 4-Isopropylbenzyl acetate
  • Benzenemethanol, 4-(1-methylethyl)-, 1-acetate
  • Benzenemethanol, 4-(1-methylethyl)-, acetate

Registry Numbers

CAS Registry Number

  • 59230-57-8

System Generated Number

  • 0059230578

Structure Descriptors

InChI

1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3

InChIKey

QBCRVYRADYXNOW-UHFFFAOYSA-N

Smiles

O=C(OCc1ccc(cc1)C(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992.
rat LD50 oral 1450mg/kg (1450mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992.