ChemicalBook--->CAS DataBase List--->4839-46-7

4839-46-7

4839-46-7 Structure

4839-46-7 Structure
IdentificationMore
[Name]

3,3-Dimethylglutaric acid
[CAS]

4839-46-7
[Synonyms]

2,2-DIMETHYLPROPANE-1,3-DICARBOXYLIC ACID
2,2-O-DIMETHYLPROPANE-1,3-DICARBOXYLIC ACID
3,3-DIMETHYLGLUTARIC ACID
3,3-DIMETHYLPENTANEDIOIC ACID
3,3-DIMETHYLPENTANEDOIC ACID
BETA,BETA-DIMETHYLGLUTARIC ACID
3,3-dimethyl-pentanedioicaci
Glutaric acid, 3,3-dimethyl-
Pentanedioic acid, 3,3-dimethyl-
3,3-Dimethylglutaric acid, 98+%
3,3-dimethylglutarate
b,b-Dimethylglutaric acid
[EINECS(EC#)]

225-425-0
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00002716
[Molecular Weight]

160.17
[MOL File]

4839-46-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige fine crystalline powder
[Melting point ]

100-102 °C (lit.)
[Boiling point ]

290 °C
[density ]

1,42 g/cm3
[refractive index ]

1.4336 (estimate)
[Fp ]

89-90°C/2mm
[storage temp. ]

Store at RT.
[solubility ]

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

Fine Crystalline Powder
[pka]

pK1:3.70;pK2:6.34 (25°C)
[color ]

White to beige
[Water Solubility ]

soluble
[BRN ]

1765439
[InChI]

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

DUHQIGLHYXLKAE-UHFFFAOYSA-N
[SMILES]

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

4839-46-7(CAS DataBase Reference)
[NIST Chemistry Reference]

3,3-Dimethylglutaric acid(4839-46-7)
[EPA Substance Registry System]

4839-46-7(EPA Substance)
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-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Diethyl ether-->Sodium sulfite-->Sodium hypochlorite-->Dimedone
[Preparation Products]

2-ACETYLDIMEDONE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2-Dimethylpropane-1,3-dicarboxylic acid(4839-46-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige fine crystalline powder
[Uses]

3,3-Dimethylglutaric acid can be used as reactant involved in: Cyclodehydration of diols; Synthesis of conjugates of betulin derivatives used as anti-HIV agents; Preparation of dimeric peptide antagonists of IgG-FcRn interaction; Microwave-assisted protection of glutaraldehyde; Synthesis of glycyrrhetinic acid derivatives for proteasome inhibition; Catalytic, asymmetric transannular aldolizations.
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethylglutaric acid(4839-46-7)MS
3,3-Dimethylglutaric acid(4839-46-7)1HNMR
3,3-Dimethylglutaric acid(4839-46-7)13CNMR
3,3-Dimethylglutaric acid(4839-46-7)IR1
3,3-Dimethylglutaric acid(4839-46-7)IR2
3,3-Dimethylglutaric acid(4839-46-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,3-Dimethylglutaric acid, 98%(4839-46-7)
[Alfa Aesar]

3,3-Dimethylglutaric acid, 98+%(4839-46-7)
[Sigma Aldrich]

4839-46-7(sigmaaldrich)
[TCI AMERICA]

3,3-Dimethylglutaric Acid,>98.0%(T)(4839-46-7)
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