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Substance Name: Phenethyl tiglate
RN: 55719-85-2
UNII: 121LO7146V
InChIKey: KVMWYGAYARXPOL-QDEBKDIKSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-O2

Molecular Weight

  • 204.267
 
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Names and Synonyms

Name of Substance

  • Phenethyl tiglate

Synonyms

  • 1-06-00-00238 (Beilstein Handbook Reference)
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
  • 2-Phenylethyl 2-methyl-2-butenoate, (E)-
  • 2-Phenylethyl tiglate
  • 2-Phenylethyl trans-2,3-dimethylacrylate
  • 2-Phenylethyl trans-2-methylbutenoate
  • AI3-05783
  • Benzylcarbinyl tiglate
  • BRN 2523411
  • EINECS 259-774-5
  • FEMA No. 2870
  • Phenethyl tiglate
  • Phenylethyl tiglate
  • Phenylethyl-alpha-methylbutenoate
  • UNII-121LO7146V

Systematic Names

  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
  • 2-Butenoic acid, 2-methyl-, phenethyl ester
  • Phenethyl 2-methylcrotonate

Superlist Name

  • Phenethyl tiglate

Registry Numbers

CAS Registry Number

  • 55719-85-2

FDA UNII

  • 121LO7146V

System Generated Number

  • 0055719852

Structure Descriptors

InChI

1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+

InChIKey

KVMWYGAYARXPOL-QDEBKDIKSA-N

Smiles

c1(CCOC(\C(=C\C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975.