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Substance Name: Diphenolic acid
RN: 126-00-1
UNII: 2SIZ2CO5L3
InChIKey: VKOUCJUTMGHNOR-UHFFFAOYSA-N

Note

  • An estrogenic ligand.

Molecular Formula

  • C17-H18-O4

Molecular Weight

  • 286.3252
 
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Names and Synonyms

Results Name

  • Diphenolic acid

Name of Substance

  • 4-Hydroxy-gamma-(4-hydroxyphenyl)-gamma-methylbenzenebutanoic acid
  • Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-
  • Diphenolic acid

Synonyms

  • 4,4-Bis(4-hydroxyphenyl)pentanoic acid
  • 4,4-Bis(4-hydroxyphenyl)valeric acid
  • 4,4-Bis(p-hydroxyphenyl)pentanoic acid
  • 4,4-Bis(p-hydroxyphenyl)valeric acid
  • CCRIS 8802
  • Diphenolic acid
  • DPA (VAN)
  • EINECS 204-763-2
  • gamma,gamma-Bis(p-hydroxyphenyl)valeric acid
  • NSC 3371
  • UNII-2SIZ2CO5L3

Systematic Names

  • 4,4-Bis(4-hydroxyphenyl)valeric acid
  • Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-
  • Valeric acid, 4,4-bis(p-hydroxyphenyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 126-00-1

FDA UNII

  • 2SIZ2CO5L3

System Generated Number

  • 0000126001

Structure Descriptors

InChI

1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)

InChIKey

VKOUCJUTMGHNOR-UHFFFAOYSA-N

Smiles

O=C(O)CCC(c1ccc(O)cc1)(c1ccc(O)cc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 171.5 deg C   EXP
log P (octanol-water) 3.390 (none)   EST
Atmospheric OH Rate Constant 8.32E-11 cm3/molecule-sec 25 EST

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