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Substance Name: Benzeneethanol, beta-methyl-, 1-acetate
RN: 10402-52-5
InChIKey: RVPTTWAAIKMYAH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • 2-Phenylpropyl acetate
  • AI3-35577
  • beta-Methylphenylethyl acetate
  • EINECS 233-871-2
  • Hydratropic acetate
  • Hydratropyl acetate
  • NSC 190972

Systematic Names

  • 2-Phenylpropyl acetate
  • Benzeneethanol, beta-methyl-, 1-acetate
  • Benzeneethanol, beta-methyl-, acetate
  • Phenethyl alcohol, beta-methyl-, acetate

Registry Numbers

CAS Registry Number

  • 10402-52-5

Other Registry Number

  • 144939-28-6

System Generated Number

  • 0010402525

Structure Descriptors

InChI

1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

InChIKey

RVPTTWAAIKMYAH-UHFFFAOYSA-N

Smiles

c1([C@@H](COC(C)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4300mg/kg (4300mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 797, 1976.