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Substance Name: Benzeneethanol, alpha,alpha-dimethyl-, 1-propanoate
RN: 67785-77-7
InChIKey: BLKIYRRGHOQSPP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.283
 
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Names and Synonyms

Synonyms

  • alpha,alpha-Dimethylbenzeneethanol, propionate
  • alpha,alpha-Dimethylphenethyl propionate
  • Benzylisopropyl propionate
  • Dimethylbenzylcarbinyl propionate
  • EINECS 267-072-5
  • Phenethyl alcohol, alpha,alpha-dimethyl-, propionate
  • Propanoic acid, (3-phenyl-2-methyl-2-propyl) ester
  • Propanoic acid, 1,1-dimethyl-2-phenylethyl ester

Systematic Names

  • alpha,alpha-Dimethylphenethyl propionate
  • Benzene ethanol, alpha,alpha-dimethyl-, propanoate
  • Benzeneethanol, alpha,alpha-dimethyl-, 1-propanoate
  • Benzeneethanol, alpha,alpha-dimethyl-, propanoate

Registry Numbers

CAS Registry Number

  • 67785-77-7

System Generated Number

  • 0067785777

Structure Descriptors

InChI

InChI=1S/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

InChIKey

BLKIYRRGHOQSPP-UHFFFAOYSA-N

Smiles

CCC(=O)OC(C)(C)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.