-
Name
3,3-Dimethylglutaric acid
- EINECS 225-425-0
- CAS No. 4839-46-7
- Article Data59
- CAS DataBase
- Density 1.2 g/cm3
- Solubility Soluble in water
- Melting Point 100-102 °C(lit.)
- Formula C7H12O4
- Boiling Point 300.4 °C at 760 mmHg
- Molecular Weight 160.17
- Flash Point 149.7 °C
- Transport Information
- Appearance white to beige fine crystalline powder
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Glutaricacid, 3,3-dimethyl- (7CI,8CI);Glutaric acid, b,b-dimethyl- (3CI);3,3-Dimethylglutarate;3,3-Dimethylpentanedioic acid;NSC 14987;NSC 49114;b,b-Dimethylglutaric acid;
- PSA 74.60000
- LogP 0.96200
3,3-Dimethylglutaric acid Chemical Properties
Molecular Structure of 3,3-Dimethylglutarate (CAS NO.4839-46-7):
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IUPAC Name: 3,3-dimethylpentanedioic acid
Empirical Formula: C7H12O4
Molecular Weight: 160.1678
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.475
Molar Refractivity: 37.57 cm3
Molar Volume: 133.3 cm3
Surface Tension: 47 dyne/cm
Density: 1.2 g/cm3
Flash Point: 149.7 °C
Enthalpy of Vaporization: 59.45 kJ/mol
Boiling Point: 300.4 °C at 760 mmHg
Vapour Pressure: 0.000264 mmHg at 25°C
EINECS: 225-425-0
Storage temp: Store at RT.
Water Solubility: soluble
BRN: 1765439
Melting point: 100-102 °C(lit.)
Product Categories: Organic acids
InChI
InChI=1/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
Smiles
C(CC(O)=O)(CC(O)=O)(C)C
3,3-Dimethylglutaric acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
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
HS Code: 29171990
3,3-Dimethylglutaric acid Specification
3,3-Dimethylglutarate , with CAS number of 4839-46-7, can be called b,b-Dimethylglutaric acid ; 3,3-Dimethylpentanedioic acid ; Glutaric acid, b,b-dimethyl- (3CI) . It is a white to beige fine crystalline powder.
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