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Substance Name: 3-Propylidenephthalide
RN: 17369-59-4
UNII: WHD8YJ226P
InChIKey: NGSZDVVHIGAMOJ-YHYXMXQVSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C11-H10-O2

Molecular Weight

  • 174.198
 
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Names and Synonyms

Name of Substance

  • 3-Propylidenephthalide

Synonyms

  • 1(3H)-Isobenzofuranone, 3-propylidene-
  • 3-Propylidene-1(3H)-isobenzofuranone
  • 3-Propylidenephthalide
  • CCRIS 4708
  • EINECS 241-402-8
  • FEMA No. 2952
  • Isopropylidenephthalide
  • Phthalide, 3-propylidene-
  • Propylidene phthalide
  • Propylidenephthalide
  • UNII-WHD8YJ226P

Systematic Names

  • 1(3H)-Isobenzofuranone, 3-propylidene-
  • 3-Propylidene phthalide
  • 3-Propylidenephthalide
  • Phthalide, 3-propylidene (6CI,8CI)

Superlist Name

  • 3-Propylidenephthalide

Registry Numbers

CAS Registry Number

  • 17369-59-4

FDA UNII

  • WHD8YJ226P

System Generated Number

  • 0017369594

Structure Descriptors

InChI

1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-

InChIKey

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

Smiles

CC/C=C\1/c2ccccc2C(=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1650mg/kg (1650mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 865, 1978.