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Substance Name: Butylidenephthalide
RN: 551-08-6
UNII: S9178G4B3F
InChIKey: WMBOCUXXNSOQHM-DHZHZOJOSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H12-O2

Molecular Weight

  • 188.2248
 
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Names and Synonyms

Name of Substance

  • Butylidenephthalide

Synonyms

  • 1(3H)-Isobenzofuranone, 3-butylidene-
  • 3-Butylidene phthalide
  • 3-Butylidene-1(3H)-isobenzofuranone
  • 3-Butylidenephthalide
  • AI3-37306
  • BdPh
  • Butylidene phthalide
  • Butylidenephthalide
  • EINECS 208-991-3
  • FEMA No. 3333
  • Ligusticum lactone
  • n-Butylidene phthalide
  • NSC 325307
  • Phthalide, 3-butylidene-
  • UNII-S9178G4B3F

Systematic Names

  • 1(3H)-Isobenzofuranone, 3-butylidene-
  • 3-Butylidenephthalide
  • Phthalide, 3-butylidene-

Superlist Name

  • 3-Butylidenephthalide

Registry Numbers

CAS Registry Number

  • 551-08-6

FDA UNII

  • S9178G4B3F

System Generated Number

  • 0000551086

Structure Descriptors

InChI

1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+

InChIKey

WMBOCUXXNSOQHM-DHZHZOJOSA-N

Smiles

c\12c(C(=O)OC1=C/CCC)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983.
rat LD50 oral 1850mg/kg (1850mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983.