ChemicalBook--->CAS DataBase List--->681-57-2

681-57-2

681-57-2 Structure

681-57-2 Structure
IdentificationMore
[Name]

2,2-Dimethylglutaric acid
[CAS]

681-57-2
[Synonyms]

1,1-O-DIMETHYLPROPANE-1,3-DICARBOXYLIC ACID
2,2-DIMETHYLGLUTARIC ACID
2,2-DIMETHYLPENTANEDIOIC ACID
ALPHA,ALPHA-DIMETHYLGLUTARIC ACID
TIMTEC-BB SBB008199
Pentanedioic acid, 2,2-dimethyl-
2,2-Dimethylpentanedioc acid
2,2-DIMETHYLGLUTARIC ACID, 98+%
2,2-Dimethylpentane-1,5-dioic acid
[EINECS(EC#)]

211-655-9
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00004197
[Molecular Weight]

160.17
[MOL File]

681-57-2.mol
Chemical PropertiesBack Directory
[Appearance]

white granular powder
[Melting point ]

82-86 °C (lit.)
[Boiling point ]

200 °C / 2mmHg
[density ]

1.3681 (rough estimate)
[refractive index ]

1.4328 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

powder to crystal
[pka]

4.58±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

It hydrolyzes with water.
[BRN ]

1768501
[InChI]

InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
[InChIKey]

BTUDGPVTCYNYLK-UHFFFAOYSA-N
[SMILES]

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

681-57-2(CAS DataBase Reference)
[NIST Chemistry Reference]

2,2-Dimethylglutaric acid(681-57-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29171990
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2-Dimethylglutaric acid(681-57-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white granular powder
[Uses]

2,2-Dimethylglutaric acid is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.
[General Description]

The vapour pressures of 2,2-dmethylglutaric acid at different temperatures was studied using Knudsen mass-loss effusion technique.
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-Dimethylglutaric acid(681-57-2)MS
2,2-Dimethylglutaric acid(681-57-2)1HNMR
2,2-Dimethylglutaric acid(681-57-2)13CNMR
2,2-Dimethylglutaric acid(681-57-2)IR1
2,2-Dimethylglutaric acid(681-57-2)IR2
2,2-Dimethylglutaric acid(681-57-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Dimethylglutaric acid, 98+%(681-57-2)
[Sigma Aldrich]

681-57-2(sigmaaldrich)
[TCI AMERICA]

2,2-Dimethylglutaric Acid,>98.0%(T)(681-57-2)
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