ChemicalBook--->CAS DataBase List--->13545-04-5

13545-04-5

13545-04-5 Structure

13545-04-5 Structure
IdentificationBack Directory
[Name]

2,3-DIMETHYLSUCCINIC ACID
[CAS]

13545-04-5
[Synonyms]

2,3-DIMETHYLSUCCINIC ACID
2,3-Butanedicarboxylic acid
Succinic acid, 2,3-dimethyl-
2,3-Dimethylbutanedioic acid
2,3-Dimethylsuccinic acid >=99%
Butanedioic acid, 2,3-dimethyl-
alpha,beta-Dimethylsuccinic acid
ALPHA,ALPHA'-DIMETHYLSUCCINIC ACID
2,3-Dimethylsuccinic acid, mixture of DL and meso
2,3-Dimethylsuccinic acid,99%,mixture of DL and meso
2,3-DIMETHYLSUCCINIC ACID (MIXTURE OF D,L AND MESO) 99+%
2,3-DIMETHYLSUCCINIC ACID, 99+%, MIXTURE OF (+/-) AND MESO
[EINECS(EC#)]

236-915-9
[Molecular Formula]

C6H10O4
[MDL Number]

MFCD00002657
[MOL File]

13545-04-5.mol
[Molecular Weight]

146.14
Chemical PropertiesBack Directory
[Appearance]

white to almost white crystalline powder
[Melting point ]

118-122 °C
[Boiling point ]

311.39°C (rough estimate)
[density ]

1.4528 (rough estimate)
[refractive index ]

1.4328 (estimate)
[storage temp. ]

Storage temp. 2-8°C
[form ]

powder
[pka]

3.94±0.10(Predicted)
[Water Solubility ]

30g/L(14 ºC)
[BRN ]

1723932
[InChI]

1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
[InChIKey]

KLZYRCVPDWTZLH-UHFFFAOYSA-N
[SMILES]

CC(C(C)C(O)=O)C(O)=O
Questions And AnswerBack Directory
[Uses]

2,3-Dimethylsuccinic acid is a useful research chemical.
Hazard InformationBack Directory
[Chemical Properties]

white to almost white crystalline powder
[Definition]

ChEBI: 2,3-dimethylsuccinic acid is an alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 3 respectively. It has a role as a chelator. It is functionally related to a succinic acid. It is a conjugate acid of a 2,3-dimethylsuccinate(2-).
[Purification Methods]

Crystallise the racemic acid from water. [Beilstein 2 IV 1998.]
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

29171990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIMETHYLSUCCINIC ACID(13545-04-5)MS
2,3-DIMETHYLSUCCINIC ACID(13545-04-5)1HNMR
2,3-DIMETHYLSUCCINIC ACID(13545-04-5)13CNMR
2,3-DIMETHYLSUCCINIC ACID(13545-04-5)IR1
2,3-DIMETHYLSUCCINIC ACID(13545-04-5)IR2
2,3-DIMETHYLSUCCINIC ACID(13545-04-5)Raman
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