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617-54-9

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617-54-9 Structure

617-54-9 Structure
IdentificationBack Directory
[Name]

CITRACONIC ACID DIMETHYL ESTER
[CAS]

617-54-9
[Synonyms]

C05126
DIMETHYL CITRACONATE
dimethylmethylmaleate
Dimethyl methyl maleate
Citraconate de dimethyle
methylmaleicacid,dimethylester
CITRACONIC ACID DIMETHYL ESTER
Methylmaleic acid, dimethyl ester
Maleic acid, methyl-, dimethyl ester
Dimethyl (2Z)-2-methyl-2-butenedioate
Dimethyl cis-1-propene-1,2-dicarboxylate
cis-2-methyl-but-2-enoicaciddimethylester
2-methyl-,dimethylester,(z)-2-butenedioicaci
cis-2-methyl-2-butenedioicacid,dimethylester
2-Methyl-but-2-enedioic acid dimethyl ester, Z
(Z)-2-Methyl-2-butenedioic acid dimethyl ester
2-Butenedioic acid, 2-methyl-, dimethyl ester (Z)-
2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)-
[Molecular Formula]

C7H10O4
[MDL Number]

MFCD00059306
[MOL File]

617-54-9.mol
[Molecular Weight]

158.15
Chemical PropertiesBack Directory
[Boiling point ]

211 °C
[density ]

1,11 g/cm3
[refractive index ]

1.4460-1.4490
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Clear Colourless
[LogP]

0.849 (est)
[EPA Substance Registry System]

2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)- (617-54-9)
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[RTECS ]

GE6700000
[HS Code ]

2917198090
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
Hazard InformationBack Directory
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

Dimethyl Citraconate is a useful synthetic intermediate. It has been used in the synthesis of natural products chaetomellic acid A anhydride and 1,7(Z)- nonadecadiene-2,3-dicarboxylic acid. It is also used to prepare acyclic alkanes by reduction using homogeneous catalysts or biocatalysts.
[Preparation]

By the reaction of methanol with citraconic anhydride in the presence of a catalyst.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 94, p. 9269, 1972 DOI: 10.1021/ja00781a071
Spectrum DetailBack Directory
[Spectrum Detail]

CITRACONIC ACID DIMETHYL ESTER(617-54-9)MS
CITRACONIC ACID DIMETHYL ESTER(617-54-9)1HNMR
CITRACONIC ACID DIMETHYL ESTER(617-54-9)13CNMR
CITRACONIC ACID DIMETHYL ESTER(617-54-9)IR1
CITRACONIC ACID DIMETHYL ESTER(617-54-9)IR2
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