| Identification | More | [Name]
2,2-Dimethylbutyric acid | [CAS]
595-37-9 | [Synonyms]
2,2'-DIMETHYL BUTANOIC ACID
2,2-DIMETHYLBUTANOIC ACID
2,2-DIMETHYLBUTYRIC ACID
2,2-DIMETHYL-N-BUTYRIC ACID
DIMETHYLETHYLACETIC ACID
NEOHEXANOIC ACID
2,2-Dimethylbuttersαure
alpha,alpha-Dimethylbutanoic acid
alpha,alpha-Dimethylbutyric acid
Butanoicacid,2,2-dimethyl-
Butyric acid, 2,2-dimethyl-
2,2-Dimethylbutyricacid,97%
2,2-Dimethylbutanoic
2,2-Dimethylbutyric acid ,99% | [EINECS(EC#)]
209-865-0 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00004200 | [Molecular Weight]
116.16 | [MOL File]
595-37-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
-14°C | [Boiling point ]
94-96 °C/5 mmHg (lit.) | [density ]
0.928 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4154(lit.)
| [Fp ]
175 °F
| [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Liquid | [pka]
pK1:5.03 (18°C) | [color ]
Clear colorless to pale yellow | [Specific Gravity]
0.928 | [Decomposition ]
176-178 ºC | [Detection Methods]
GC,NMR | [BRN ]
1720666 | [InChIKey]
VUAXHMVRKOTJKP-UHFFFAOYSA-N | [LogP]
1-2.3 at 20℃ and pH2.5-6.7 | [CAS DataBase Reference]
595-37-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 2,2-dimethyl-(595-37-9) |
| Safety Data | Back Directory | [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 .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [RIDADR ]
3265 | [WGK Germany ]
3
| [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29156000 |
| Hazard Information | Back Directory | [Description]
2,2-Dimethylbutyric acid is the intermediate of crucial importance in producing cardiovascular drugs, such as Simvastatin and agricultural chemicals, miticide spiral shell mite ester. It can also be used for rubber, dyestuff, etc. industries simultaneously. All 2,2-Dimethylbutyric acid production processes are that primary isoamyl alcohol and formic acid react under sulfuric acid catalysis. This technique's shortcoming is to produce a large amount of Waste Sulfuric Acids.
| [Chemical Properties]
Colorless to light yellow or light green liquid | [Uses]
2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies. | [Definition]
ChEBI: A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies. | [Synthesis Reference(s)]
Synthetic Communications, 19, p. 1945, 1989 DOI: 10.1080/00397918908052587 | [Synthesis]
Adding 15 to 25 parts by weight of solid acid catalyst, 150 to 170 parts by weight of isoamyl alcohol, and 15 to 20 parts by weight of sulfuric acid into a high-pressure reactor, evenly stirring to obtain a reaction mixture, introducing nitrogen gas into the reactor, introducing CO into the reaction mixture at a temperature of 85 to 90 ℃, maintaining a pressure of 0.1 to 0.15 MPa until the pressure starts to rise; cooling to the room temperature, introducing nitrogen gas into the reactor to replace the CO gas, discharging materials from the reactor, filtering to obtain the solid acidified catalyst; adding 5 to 15 parts by weight of saturated sodium chloride water solution into the filtrate, evenly stirring, allowing the system to stand still, removing the lower water layer, and rectifying the upper oil layer to obtain the product 2,2-Dimethylbutyric acid.
|
|
|