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57018-52-7

Basic Information
CAS No.: 57018-52-7
Name: 1-TERT-BUTOXY-2-PROPANOL
Article Data: 8
Molecular Structure:
Molecular Structure of 57018-52-7 (1-TERT-BUTOXY-2-PROPANOL)
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: IrritantXi
Risk Codes: 10-41
Safety: 26-39
Transport Information: UN 1987
PSA: 29.46000
LogP: 1.18230
Synthetic route
57-55-6

propylene glycol

75-65-0

tert-butyl alcohol

57018-52-7

1-tert-butoxy-2-propanol

Conditions
ConditionsYield
With Amberlyst15 In hexane at 40℃; for 7h;84.8%
57-55-6

propylene glycol

115-11-7

isobutene

57018-52-7

1-tert-butoxy-2-propanol

Conditions
ConditionsYield
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

C

1,2-di-tert-butoxypropane

cis-2-(2-tert-butoxyethyl)-4-methyl-1,3-dioxolane

Conditions
ConditionsYield
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
865-47-4

potassium tert-butylate

75-56-9, 16033-71-9

methyloxirane

57018-52-7

1-tert-butoxy-2-propanol

Conditions
ConditionsYield
In toluene; tert-butyl alcohol
75-56-9, 16033-71-9

methyloxirane

75-65-0

tert-butyl alcohol

57018-52-7

1-tert-butoxy-2-propanol

Conditions
ConditionsYield
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

C

1,2-di-tert-butoxypropane

trans-2-(2-tert-butoxyethyl)-4-methyl-1,3-dioxolane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
28047-97-4

tert-butoxyacetaldehyde

75-16-1

methylmagnesium bromide

57018-52-7

1-tert-butoxy-2-propanol

Conditions
ConditionsYield
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