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Substance Name: Muconic acid
RN: 3588-17-8
UNII: 3KD92ZL2KH
InChIKey: TXXHDPDFNKHHGW-ZPUQHVIOSA-N

Note

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

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H6-O4

Molecular Weight

  • 142.109
 
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Names and Synonyms

Name of Substance

  • Muconic acid

Synonyms

  • (E,E)-Muconic acid
  • CCRIS 3787
  • EINECS 222-724-8
  • NSC 66486
  • trans, trans-Muconic acid
  • trans,trans-Muconic acid
  • UNII-3KD92ZL2KH

Systematic Names

  • (E,E)-Muconic acid
  • 2,4-Hexadienedioic acid, (E,E)-
  • trans,trans-Buta-1,3-diene-1,4-dicarboxylic acid

Registry Numbers

CAS Registry Number

  • 3588-17-8

FDA UNII

  • 3KD92ZL2KH

System Generated Number

  • 0003588178

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
Melting Point 301 deg C   EXP
log P (octanol-water) -0.200 (none)   EST
Water Solubility 200 mg/L 15 EXP
Atmospheric OH Rate Constant 1.84E-11 cm3/molecule-sec 25 EST

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