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Substance Name: Rosacetol
RN: 90-17-5
UNII: 4VE62Y0O29
InChIKey: JKRWZLOCPLZZEI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H9-Cl3-O2

Molecular Weight

  • 267.538
 
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Names and Synonyms

Results Name

  • Rosacetol

Name of Substance

  • Rosacetol

Synonyms

  • 4-06-00-03049 (Beilstein Handbook Reference)
  • Acetic acid, alpha-(trichloromethyl)benzyl ester
  • AI3-02454
  • alpha-(Trichloromethyl)benzenemethanol acetate
  • alpha-(Trichloromethyl)benzyl acetate
  • alpha-(Trichloromethyl)benzyl alcohol acetate
  • BRN 2270144
  • EC 201-972-0
  • EINECS 201-972-0
  • NSC 165582
  • Rosacetol
  • Rose crystals
  • Trichlor phenyl methyl carbinyl acetate
  • Trichloromethyl phenyl carbinyl acetate
  • Trichloromethylphenylcarbinyl acetate
  • UNII-4VE62Y0O29

Systematic Names

  • 2,2,2-Trichloro-1-phenylethyl acetate
  • Acetic acid, alpha-(trichloromethyl)benzyl ester
  • Benzenemethanol, alpha-(trichloromethyl)-, 1-acetate
  • Benzenemethanol, alpha-(trichloromethyl)-, acetate
  • Benzyl alcohol, alpha-(trichloromethyl)-, acetate (9CI)

Registry Numbers

CAS Registry Number

  • 90-17-5

FDA UNII

  • 4VE62Y0O29

Other Registry Numbers

  • 126753-06-8
  • 39347-18-7

System Generated Number

  • 0000090175

Structure Descriptors

InChI

1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3

InChIKey

JKRWZLOCPLZZEI-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(C)=O)C(Cl)(Cl)Cl)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 919, 1975.
rat LD50 oral 6800mg/kg (6800mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 919, 1975.