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Substance Name: Muconic acid
RN: 505-70-4
InChIKey: TXXHDPDFNKHHGW-ZPUQHVIOSA-N

Note

  • A metabolite of benzene; reported to be a reliable indicator of occupational exposure to benzene.

Molecular Formula

  • C6-H6-O4

Molecular Weight

  • 142.109
 
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Names and Synonyms

Name of Substance

  • Muconic acid

Synonyms

  • 1,3-Butadiene-1,4-dicarboxylic acid
  • CCRIS 1452
  • EINECS 208-017-7
  • NSC 16627
  • NSC 227902

Systematic Names

  • 2,4-Hexadienedioic acid
  • Hexa-2,4-dienedioic acid
  • Muconic acid

Registry Numbers

CAS Registry Number

  • 505-70-4

System Generated Number

  • 0000505704

Structure Descriptors

InChI

1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

InChIKey

TXXHDPDFNKHHGW-ZPUQHVIOSA-N

Smiles

C(\C=C\C=C\C(O)=O)(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.200 (none)   EST
Water Solubility 200 mg/L 20 EXP
Atmospheric OH Rate Constant 1.84E-11 cm3/molecule-sec 25 EST

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