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Substance Name: p-Tolyl isobutyrate
RN: 103-93-5
UNII: 8H719PT14T
InChIKey: UPPSFGGDKACIKP-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Results Name

  • p-Tolyl isobutyrate

Name of Substance

  • p-Cresyl isobutyrate

Synonyms

  • 4-06-00-02113 (Beilstein Handbook Reference)
  • 4-Methylphenyl 2-methylpropanoate
  • AI3-21545
  • BRN 2519560
  • EINECS 203-159-6
  • FEMA No. 3075
  • Isobutyric acid, p-tolyl ester
  • Methylphenyl 2-methylpropanoate, p-
  • p-Cresyl isobutyrate
  • p-Methylphenyl isobutyrate
  • p-Tolyl isobutyrate
  • Proapnoic acid, 2-methyl-, 4-methylphenyl ester
  • Tolyl 2-methylpropanoate, p-
  • UNII-8H719PT14T

Systematic Names

  • Isobutyric acid, p-tolyl ester
  • p-Tolyl isobutyrate
  • Propanoic acid, 2-methyl-, 4-methylphenyl ester

Superlist Name

  • Cresyl isobutyrate, p-

Registry Numbers

CAS Registry Number

  • 103-93-5

FDA UNII

  • 8H719PT14T

System Generated Number

  • 0000103935

Structure Descriptors

InChI

1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3

InChIKey

UPPSFGGDKACIKP-UHFFFAOYSA-N

Smiles

C(C(C)C)(Oc1ccc(C)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3970uL/kg (3.97mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 773, 1975.
rat LD50 oral 4mL/kg (4mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 773, 1975.