ChemicalBook--->CAS DataBase List--->597-43-3

597-43-3

597-43-3 Structure

597-43-3 Structure
IdentificationMore
[Name]

2,2-Dimethylsuccinic acid
[CAS]

597-43-3
[Synonyms]

2,2-DIMETHYL-1,4-BUTANEDIOIC ACID
2,2-DIMETHYLSUCCINIC ACID
ALPHA,ALPHA-DIMETHYLSUCCINIC ACID
Butanedioic acid, 2,2-dimethyl-
Succinic acid, 2,2-dimethyl-
2,2-Dimethlsuccinic acid
2,2-dimethylbutanedioic acid
3,3-Dimethylsuccinic acid
[EINECS(EC#)]

209-899-6
[Molecular Formula]

C6H10O4
[MDL Number]

MFCD00004196
[Molecular Weight]

146.14
[MOL File]

597-43-3.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

138-142 °C (lit.)
[Boiling point ]

311.39°C (rough estimate)
[density ]

1.4528 (rough estimate)
[refractive index ]

1.4328 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.80±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

70g/L(14 ºC)
[BRN ]

1764476
[InChI]

1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
[InChIKey]

GOHPTLYPQCTZSE-UHFFFAOYSA-N
[SMILES]

CC(C)(CC(O)=O)C(O)=O
[CAS DataBase Reference]

597-43-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2,2-Dimethylbutanedioic acid(597-43-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2-Dimethylsuccinic acid (597-43-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 71, p. 3418, 1949 DOI: 10.1021/ja01178a044
Synthesis, p. 710, 1980 DOI: 10.1055/s-1980-29181
[Purification Methods]

Crystallise the acid from EtOH/ether or EtOH/chloroform. [Beilstein 2 IV 1996.]
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-Dimethylsuccinic acid(597-43-3)MS
2,2-Dimethylsuccinic acid(597-43-3)1HNMR
2,2-Dimethylsuccinic acid(597-43-3)13CNMR
2,2-Dimethylsuccinic acid(597-43-3)IR1
2,2-Dimethylsuccinic acid(597-43-3)IR2
2,2-Dimethylsuccinic acid(597-43-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Dimethylsuccinic acid, 99%(597-43-3)
[Sigma Aldrich]

597-43-3(sigmaaldrich)
[TCI AMERICA]

2,2-Dimethylsuccinic Acid,>98.0%(T)(597-43-3)
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