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| CAS No.: | 75-84-3 |
|---|---|
| Name: | 2,2-Dimethyl-1-propanol |
| Article Data: | 168 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12O |
| Molecular Weight: | 88.1497 |
| Synonyms: | 2,2,2-Trimethylethanol;2,2-Dimethyl-1-propanol;2,2-Dimethylpropyl alcohol;Neoamyl alcohol;Neopentanol;Neopentyl alcohol;tert-Butylcarbinol;a,a-Dimethylpropanol; |
| EINECS: | 200-907-3 |
| Density: | 0.811 g/cm3 |
| Melting Point: | 52-56 °C(lit.) |
| Boiling Point: | 113.1 °C at 760 mmHg |
| Flash Point: | 36.7 °C |
| Solubility: | water: 3.5 g/100 mL at 25 °C |
| Appearance: | colorless waxy crystalline solid |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 10-36/37-11 |
| Safety: | 16-26-36/37-7/9-33 |
| Transport Information: | UN 1325 4.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 1.02480 |
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| Conditions | Yield |
|---|---|
| In gas byproducts: (CH3)2CCHCH3, CH3CH2C(CH3)CH2; decomposition at a pressure of ca. 0.01 mm of Hg at 550°C; further compound: H2 was obtained with a yield of <0.5%; dineopentane, neopentane and/or 1,1-dimethylcyclopropane were not obtained; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra; | A 100% B n/a C <1 |
| Conditions | Yield |
|---|---|
| With isopropyl alcohol; zirconium(IV) oxide for 4h; Rate constant; Heating; | 99% |
| With isopropyl alcohol; zirconium(IV) oxide for 4h; Heating; | 99% |
| With air; H2[Y5(μ4-O)(μ3-O)4(μ-η2-Ph2acac)4(η2-Ph2acac)6] In dichloromethane for 12h; | 71% |
- 75-84-3
2,2-dimethyl-propanol-1
| Conditions | Yield |
|---|---|
| With silica gel In methanol at 50℃; for 3h; | 93% |
| With methanol; silica gel at 50℃; for 3h; | 90% |
| With methanol; silica gel at 50℃; for 1.91667h; | 92 %Spectr. |
| With water; silica gel In hexane; ethyl acetate |
| Conditions | Yield |
|---|---|
| With lithium borohydride In methanol; diethyl ether for 0.25h; Heating; | 92% |
| With zinc(II) tetrahydroborate In tetrahydrofuran at 67℃; for 6h; | 77% |
| With sodium tetrahydroborate In methanol; tert-butyl alcohol Heating; | 76 % Chromat. |
| Conditions | Yield |
|---|---|
| With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In diethyl ether at 25℃; for 2h; | 88% |
| With lithium aluminium tetrahydride; diethyl ether | |
| With diethyl ether; tert-butylmagnesium chloride |
| Conditions | Yield |
|---|---|
| With aluminum isopropoxide In water | A n/a B 87% |
| With aluminum isopropoxide In water |
- 598-98-1
Methyl pivalate
- 762-72-1
allyl-trimethyl-silane
A
- 75-84-3
2,2-dimethyl-propanol-1
B
- 19550-89-1
2,2-dimethyl-5-hexen-3-ol
| Conditions | Yield |
|---|---|
| With indium (III) iodide; Dimethylphenylsilane In dichloromethane at 20℃; for 1.66667h; Inert atmosphere; chemoselective reaction; | A 29 %Spectr. B 30% |
- 3536-96-7
vinylmagnesium chloride
- 590-86-3
isovaleraldehyde
A
- 60041-31-8, 61348-36-5, 24580-44-7
4,4-dimethylpent-1-en-3-ol
B
- 75-84-3
2,2-dimethyl-propanol-1
| Conditions | Yield |
|---|---|
| A 16% B 4.5% |
- 75-91-2
tert.-butylhydroperoxide
A
- 75-84-3
2,2-dimethyl-propanol-1
B
- 5340-26-1
neopentyl pivalate
C
- 630-19-3
pivalaldehyde
D
- 75-65-0
tert-butyl alcohol
E
- 75-98-9
Trimethylacetic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; diethylamine Product distribution; Mechanism; | A 1% B n/a C n/a D n/a E n/a F n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide |
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Specification
The 2,2-Dimethylpropanol , its cas register number is 75-84-3, is also called Neopentyl alcohol ; 2,2-Dimethyl-1-propanol . Its IUPAC name is 2,2-dimethylpropan-1-ol . And its systematic name is also named as 2,2-dimethylpropan-1-ol with the structure description of SMILES of OCC(C)(C)C. 2,2-Dimethylpropanol is not compatible with strong oxidizing agents. And it should avoid the condition of incompatible materials, ignition sources. And its hazardous decomposition products: carbon monoxide, carbon dioxide. While, its hazardous polymerization has not been reported.
The physical properties of 2,2-Dimethylpropanol are: (1) H bond acceptors: 1; (2) H bond donors: 1; (3) Freely Rotating Bonds: 2; (4) Index of Refraction: 1.406; (5) Molar Refractivity: 26.71 cm3; (6) Molar Volume: 108.6 cm3; (7) Surface Tension: 25 dyne/cm; (8) Enthalpy of Vaporization: 40.98 kJ/mol; (9) Vapour Pressure: 10.8 mmHg at 25°C. This compound is highly flammable. So keep it in a well-ventilated place away from sources of ignition and keep container tightly closed. 2,2-Dimethylpropanol Irritates to eyes and respiratory system. Before use it, wear suitable protective clothing and gloves. If contact with eyes accidently, rinse immediately with plenty of water and seek
medical advice.
The 2,2-Dimethylpropanol can be prepared in many ways. For example, 2,2-dimethyl-propionic acid can be used to produce this compound in the solvent of propan-2-ol using the reagents of aq. SnO2 under the temperature of 300 ℃. The yield is about 69%.
The 2,2-Dimethylpropanol is always used to manufacture other compounds such as 1-bromo-2,2-dimethyl-propane ; 2,2-dimethyl-propionaldehyde ; 2,2-dimethyl-propionic acid . For example, 2,2-Dimethylpropanol is used to prepare the 1-bromo-2,2-dimethyl-propane using the reagents of 48percent HBr and the catalyst of aliquat 336 in the solvent of chlorobenzene under the temperature of 85 ℃. The yield is about 30%.