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| CAS No.: | 77-84-9 |
|---|---|
| Name: | 2-ETHYL-2-METHYL-1,3-PROPANEDIOL |
| Molecular Structure: | |
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| Formula: | C6H14O2 |
| Molecular Weight: | 118.176 |
| Synonyms: | 2-Methyl-2-ethyl-1,3-propanediol; |
| EINECS: | 201-062-3 |
| Density: | 0.963 g/cm3 |
| Melting Point: | 43 ºC |
| Boiling Point: | 225.8 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| Solubility: | almost transparency |
| Safety: | 24/25 |
| PSA: | 40.46000 |
| LogP: | 0.38730 |
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| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 20℃; for 4h; | 94% |
| With lithium aluminium tetrahydride; diethyl ether | |
| With lithium aluminium tetrahydride In diethyl ether for 3h; Heating; |
- 123-91-1
1,4-dioxane
- 922-63-4
ethylacrolein
A
- 137-32-6
(+/-)-2-methyl-1-butanol
B
- 77-84-9
2-ethyl-2-methyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With formaldehyd; hydroquinone | A 61.5% B n/a |
| Conditions | Yield |
|---|---|
| With formaldehyd; hydroquinone In 1,4-dioxane; ethanol | A 57.5% B n/a |
- 123-91-1
1,4-dioxane
- 922-63-4
ethylacrolein
A
- 6032-29-7
(+/-)-2-pentanol
B
- 77-84-9
2-ethyl-2-methyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With formaldehyd; hydroquinone | A 55.9% B n/a |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; formaldehyd; hydroquinone In 1,4-dioxane; ethanol | A 55.7% B n/a |
| Conditions | Yield |
|---|---|
| With potassium carbonate | |
| With potassium hydroxide; water |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 96-17-3, 57456-98-1
2-Methylbutyraldehyde
- 77-84-9
2-ethyl-2-methyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: K2CO3 2: alcoholic KOH-solution View Scheme |
| Conditions | Yield |
|---|---|
| In diethyl ether |
- 1445-45-0
Trimethyl orthoacetate
- 77-84-9
2-ethyl-2-methyl-1,3-propanediol
- 656241-03-1
2-acetoxymethyl-2-methylbutanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In dichloromethane at 20℃; for 1h; | 91% |
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Specification
The 1,3-Propanediol,2-ethyl-2-methyl-, with the CAS registry number 77-84-9, is also known as 2-Methyl-2-ethyl-1,3-propanediol. Its EINECS registry number is 201-062-3. This chemical's molecular formula is C6H14O2 and molecular weight is 118.1742. What's more, both its IUPAC name and systematic name are the same which is 2-Ethyl-2-methylpropane-1,3-diol.
Physical properties about 1,3-Propanediol,2-ethyl-2-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.17; (8)ACD/KOC (pH 7.4): 30.17; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 32.88 cm3; (15)Molar Volume: 122.6 cm3; (16)Polarizability: 13.03×10-24 cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 0.963 g/cm3; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 53.75 kJ/mol; (21)Boiling Point: 225.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0168 mmHg at 25 °C.
Use of 1,3-Propanediol,2-ethyl-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Phenyl-5-methyl-5-ethyl-1,3-dioxanium hexachloroantimonate. The reaction occurs with reagent SbCl5 and solvent CH2Cl2. This reaction will occur at the condition of heating for 3 mins. The yield is 40%.
When you are dealing with this chemical, you should be very careful. You must avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC(C)(CC)CO
(2) InChI: InChI=1/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3
(3) InChIKey: VNAWKNVDKFZFSU-UHFFFAOYAD