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Substance Name: Aluminum benzoate
RN: 555-32-8
UNII: MM87U5L1W4
InChIKey: CSJKPFQJIDMSGF-UHFFFAOYSA-K

Molecular Formula

  • C7-H6-O2.1/3Al

Molecular Weight

  • 390.326
 
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Names and Synonyms

Name of Substance

  • Aluminum benzoate
  • Benzoic acid, aluminum salt

Synonyms

  • EINECS 209-091-3
  • UNII-MM87U5L1W4

Systematic Names

  • Aluminium tribenzoate
  • Benzoic acid, aluminum salt
  • Benzoic acid, aluminum salt (3:1)

Registry Numbers

CAS Registry Number

  • 555-32-8

FDA UNII

  • MM87U5L1W4

System Generated Number

  • 0000555328

Molecular Formulas

Molecular Formula

  • C7-H6-O2.1/3Al

Molecular Formula Fragments

  • Al
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/3C7H6O2.Al/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3

InChIKey

CSJKPFQJIDMSGF-UHFFFAOYSA-K

Smiles

c1cc(ccc1)C(=O)[O-].c1c(cccc1)C([O-])=O.c1(ccccc1)C(=O)[O-].[Al+3]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.480 (none)   EST
Atmospheric OH Rate Constant 5.33E-12 cm3/molecule-sec 25 EST

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