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| CAS No.: | 57018-52-7 |
|---|---|
| Name: | 1-TERT-BUTOXY-2-PROPANOL |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H16O2 |
| Molecular Weight: | 132.203 |
| Synonyms: | 1-(1,1-dimethylethoxy)-2-propanol;1-Methyl-2-tert-butoxyethanol;1-tert-Butoxy-2-propanol;Propylene glycol 1-(tert-butyl ether); |
| EINECS: | 406-180-0 |
| Density: | 0.89g/cm3 |
| Melting Point: | -56°C(lit.) |
| Boiling Point: | 155.3 °C at 760 mmHg |
| Flash Point: | 49.7 °C |
| Solubility: | soluble in water |
| Appearance: | Clear colorless liquid with an ethereal odor. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-41 |
| Safety: | 26-39 |
| Transport Information: | UN 1987 |
| PSA: | 29.46000 |
| LogP: | 1.18230 |
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| Conditions | Yield |
|---|---|
| With Amberlyst15 In hexane at 40℃; for 7h; | 84.8% |
| Conditions | Yield |
|---|---|
| With Amberlyst15 In toluene at 35℃; for 5h; | 72.3% |
- 89769-15-3
2-<2-(2-hydroxypropoxy)-ethyl>-4-methyl-1,3-dioxolane
- 75-65-0
tert-butyl alcohol
A
- 94023-15-1
2-tert-butoxy-1-propanol
B
- 57018-52-7
1-tert-butoxy-2-propanol
| Conditions | Yield |
|---|---|
| With sulfuric acid for 5h; Heating; Further byproducts given; | A 0.15% B 0.65 g C 0.08 g D n/a |
| With sulfuric acid for 5h; Heating; Further byproducts given; | A 0.15 g B 0.65% C 0.08 g D n/a |
| With sulfuric acid for 5h; Heating; Further byproducts given; | A 0.15 g B 1.27 g C 0.08 g D n/a |
| Conditions | Yield |
|---|---|
| In toluene; tert-butyl alcohol |
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 72h; Heating; Yield given; |
- 89769-15-3
2-<2-(2-hydroxypropoxy)-ethyl>-4-methyl-1,3-dioxolane
- 75-65-0
tert-butyl alcohol
A
- 94023-15-1
2-tert-butoxy-1-propanol
B
- 57018-52-7
1-tert-butoxy-2-propanol
| Conditions | Yield |
|---|---|
| With sulfuric acid for 5h; Heating; Further byproducts given; | A 0.15 g B 1.27 g C 0.08 g D n/a |
- 64-17-5
ethanol
- 67-63-0
isopropyl alcohol
- 75-56-9, 16033-71-9
methyloxirane
- 75-65-0
tert-butyl alcohol
A
- 1569-02-4
propylene glycol monoethyl ether
B
- 3944-36-3
1-isopropoxy-2-propanol
C
- 57018-52-7
1-tert-butoxy-2-propanol
| Conditions | Yield |
|---|---|
| Trimethyl borate; hydrogen fluoride In water for 0.5h; |
- 1343-93-7
phosphotungestic acid
- 57-55-6
propylene glycol
- 115-11-7
isobutene
- 57018-52-7
1-tert-butoxy-2-propanol
- 7580-85-0
tert-butyl glycidyl ether
- 57018-52-7
1-tert-butoxy-2-propanol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / ethyl acetate / Reflux 2: diethyl ether / 0 °C View Scheme |
| Conditions | Yield |
|---|---|
| In diethyl ether at 0℃; |
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Specification
The 2-Propanol,1-(1,1-dimethylethoxy)-, with CAS registry number 57018-52-7, has the systematic name of 1-tert-butoxypropan-2-ol. This chemical is a kind of clear colorless liquid with an ethereal odor. Its classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and Tumor data. And the chemical formula of this chemical is C7H16O2. What's more, its EINECS is 406-180-0.
Physical properties of 2-Propanol,1-(1,1-dimethylethoxy)-: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.3; (6)ACD/BCF (pH 7.4): 2.3; (7)ACD/KOC (pH 5.5): 63.15; (8)ACD/KOC (pH 7.4): 63.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 37.68 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 14.93×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 49.7 °C; (20)Enthalpy of Vaporization: 45.67 kJ/mol; (21)Boiling Point: 155.3 °C at 760 mmHg; (22)Vapour Pressure: 1.11 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Propanol,1-(1,1-dimethylethoxy)- is flammable. And it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)COC(C)(C)C
(2)InChI: InChI=1/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
(3)InChIKey: GQCZPFJGIXHZMB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
(5)Std. InChIKey: GQCZPFJGIXHZMB-UHFFFAOYSA-N