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Substance Name: Arbutin
RN: 497-76-7
UNII: C5INA23HXF
InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C12-H16-O7

Molecular Weight

  • 272.2514
 
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Names and Synonyms

Name of Substance

  • Arbutin

MeSH Heading

  • Arbutin

Synonyms

  • 4-Hydroxyphenyl-beta-D-glucopyranoside
  • 5-17-07-00110 (Beilstein Handbook Reference)
  • Arbutine
  • Arbutoside
  • Arbutyne
  • beta-Arbutin
  • BRN 0089673
  • CCRIS 9273
  • EINECS 207-850-3
  • HSDB 7661
  • Hydroquinone beta-D-glucopyranoside
  • Hydroquinone-beta-D-glucopyranoside
  • NSC 4036
  • p-Arbutin
  • p-Hydroxyphenyl beta-D-glucopyranoside
  • p-Hydroxyphenyl beta-D-glucoside
  • UNII-C5INA23HXF
  • Ursin
  • Uvasol

Systematic Names

  • 4-Hydroxyphenyl beta-D-glucopyranoside
  • Arbutin
  • beta-D-Glucopyranoside, 4-hydroxyphenyl
  • beta-D-Glucopyranoside, 4-hydroxyphenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 497-76-7

FDA UNII

  • C5INA23HXF

Other Registry Numbers

  • 30373-96-7
  • 39464-18-1

System Generated Number

  • 0000497767

Structure Descriptors

InChI

1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

InChIKey

BJRNKVDFDLYUGJ-RMPHRYRLSA-N

Smiles

c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 199.5 deg C   EXP
log P (octanol-water) -1.35E+00 (none)   EXP
Water Solubility 9.59E+05 mg/L 25 EST
Vapor Pressure 2.30E-12 mm Hg 25 EST
Henry's Law Constant 1.20E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.