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1119-72-8

1119-72-8 Structure

1119-72-8 Structure
IdentificationBack Directory
[Name]

CIS CIS-MUCONIC ACID
[CAS]

1119-72-8
[Synonyms]

4Z)-2
cis,cis-Muconic acid,98%
cis,cis-Muconic acid, 98% 2.5GR
(2Z,4Z)-2,4-Hexadienedioic acid
(2Z,4Z)-hexa-2,4-dienedioic acid
cis,cis-Muconic acid
cis,cis-Muconic acid >=97.0% (HPLC)
[Molecular Formula]

C6 H6 O4
[MDL Number]

MFCD00085266
[MOL File]

1119-72-8.mol
[Molecular Weight]

142.11
Chemical PropertiesBack Directory
[Appearance]

yellow-beige crystalline powder
[Melting point ]

194-195 °C(lit.)
[Boiling point ]

179.65°C (rough estimate)
[density ]

1.1712 (rough estimate)
[refractive index ]

1.4434 (estimate)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Crystalline Powder
[pka]

3.57±0.25(Predicted)
[color ]

Yellow-beige
[BRN ]

1722246
[InChI]

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-CCAGOZQPSA-N
[SMILES]

C(O)(=O)/C=C\C=C/C(O)=O
[CAS DataBase Reference]

1119-72-8
Hazard InformationBack Directory
[Chemical Properties]

yellow-beige crystalline powder
[Definition]

ChEBI: The cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus.
[Uses]

cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2].
[General Description]

cis,cis-Muconic acid is a naturally-occurring organic acid. It is also referred as 2E,4E-hexa-2,4-dienedioic acid. It is used in the manufacture of several widely-used consumer plastics. Its microbial production via extending shikimate pathway has been reported.
[IC 50]

Microbial Metabolite; Human Endogenous Metabolite
[References]

[1] Jung HM, et al. Metabolic engineering of Klebsiella pneumoniae for the production of cis,cis-muconic acid. Appl Microbiol Biotechnol. 2015;99(12):5217-5225. DOI:10.1007/s00253-015-6442-3
[2] Shin WS, et al. Characterization of a non-phosphotransferase system for cis,cis-muconic acid production in Corynebacterium glutamicum. Biochem Biophys Res Commun. 2018;499(2):279-284. DOI:10.1016/j.bbrc.2018.03.146
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[F ]

10-23
[HS Code ]

29171990
Spectrum DetailBack Directory
[Spectrum Detail]

CIS CIS-MUCONIC ACID(1119-72-8)MS
CIS CIS-MUCONIC ACID(1119-72-8)1HNMR
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