3-Butylphthalide Impurity 21 | CAS No. 551-08-6

3-Butylphthalide Impurity 21

Basic Information

CAS Number

551-08-6

Molecular Formula

C12H12O2

Molecular Weight

188.23 g/mol

AD

Basic Physical Properties

Physical State

Oil

Melting Point

82.5°C

Boiling Point

139-142 ºC

Flash Point

113 ºC

Solubility

Insoluble in water; soluble in oils

Refractive Index

1.577

Vapor Pressure

0.0±0.7 mmHg at 25°C

CCCC=C1C2=CC=CC=C2C(=O)O1

InChI

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-FLIBITNWSA-N

LogP

2.998000000000001

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

255

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • 1ST164634
  • Z-butylidenephthalide
  • BS-49282
  • 3-Butylidenephthalide-d8
  • 3-Butylideneisobenzofuran-1(3H)-one
  • (3Z)-3-butylideneisobenzofuran-1-one
  • 3-Butylidenephthalide, (Z)-
  • HY-N0336
  • (3Z)-3-BUTYLIDENE-1(3H)-ISOBENZOFURANONE
  • BdPh
  • CHEMBL249592
  • CHEBI:68233
  • C16924
  • WMBOCUXXNSOQHM-FLIBITNWSA-N
  • SCHEMBL290482
  • (Z)-Butylidenephthalide
  • n-butylidenephthalide
  • NSC-325307
  • AKOS024286816
  • AC-34145
  • CS-0008897
  • (Z)-3-Butylidenephthalide
  • BUTYLIDENEPHTHALIDE, (Z)-
  • 1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-
  • (E)-Butylidene phthalide
  • NSC325307
  • 3-Butylidene Phthalide(Cis Trans mixture)
  • F17666
  • trans-3n-butylidenephthalide
  • (3Z)-3-Butylidene-2-benzofuran-1(3H)-one
  • 6GM611H175

MDL Number

MFCD00047319

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