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1559-34-8

Basic Information
CAS No.: 1559-34-8
Name: 3,6,9,12-Tetraoxahexadecan-1-ol
Molecular Structure:
Molecular Structure of 1559-34-8 (3,6,9,12-Tetraoxahexadecan-1-ol)
Formula: C12H26O5
Molecular Weight: 250.33
Synonyms: 2-(2-(2-(2-Butoxyethoxy)ethoxy)ethoxy)ethanol;Tetraethyleneglycol butyl ether;Tetraethylene glycol monobutyl ether;Tetraoxyethylenemonobutyl ether;
EINECS: 216-322-1
Density: 1.003 g/cm3
Melting Point:
Boiling Point: 334.6 °C at 760 mmHg
Flash Point: 156.2 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 57.15000
LogP: 0.84520
Synthetic route
112-60-7

Tetraethylene glycol

109-69-3

n-Butyl chloride

A

112-98-1

tetraethylene glycol dibutyl ether

B

1559-34-8

tetraethylene glycol monobutyl ether

Conditions
ConditionsYield
With sodium hydroxide; water at 100℃; for 24h;A 10%
B 64%
75-21-8

oxirane

71-36-3

butan-1-ol

1559-34-8

tetraethylene glycol monobutyl ether

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 50℃;
With sodium
112-60-7

Tetraethylene glycol

107-21-1

ethylene glycol

123-72-8

butyraldehyde

111-46-6

diethylene glycol

112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

A

3390-13-4

2-propyl-1,3-dioxolane

B

111-76-2

2-Butoxyethanol

C

112-34-5

Diethylene glycol monobutyl ether

D

143-22-6

triethyleneglycol monobutyl ether

E

1559-34-8

tetraethylene glycol monobutyl ether

F

71-36-3

butan-1-ol

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 2h;
112-60-7

Tetraethylene glycol

123-72-8

butyraldehyde

1559-34-8

tetraethylene glycol monobutyl ether

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 4h; Inert atmosphere;91.2 %Chromat.
With palladium 10% on activated carbon; hydrogen at 180℃; under 51755.2 Torr; for 4h;91.2 %Chromat.
1559-34-8

tetraethylene glycol monobutyl ether

107-05-1

3-chloroprop-1-ene

tetraethyleneglycol-monobutyl-monoallyl ether

Conditions
ConditionsYield
With sodium hydroxide94%
1559-34-8

tetraethylene glycol monobutyl ether

98-59-9

p-toluenesulfonyl chloride

tetraethylene glycol monobutyl ether tosylate

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 2h;73%
1559-34-8

tetraethylene glycol monobutyl ether

123-72-8

butyraldehyde

71563-41-2

1,1-bis-(2-{2-[2-(2-butoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-butane

Conditions
ConditionsYield
With toluene-4-sulfonic acid
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    3,6,9,12-Tetraoxahexadecan-1-ol

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    1559-34-8

    3,6,9,12-Tetraoxahexadecan-1-ol

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Specification

The 3, 6, 9, 12-Tetraoxahexadecan-1-ol, with the CAS registry number 1559-34-8, is also known as Tetraethyleneglycolbutylether. And its EINECS registry number is 216-322-1. This chemical's molecular formula is C12H26O5 and molecular weight is 250.33. What's more, its IUPAC name is 2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethanol.

Physical properties about 3, 6, 9, 12-Tetraoxahexadecan-1-ol are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.82; (8)ACD/KOC (pH 7.4): 16.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 66.15 cm3; (15)Molar Volume: 249.5 cm3; (16)Polarizability: 26.22×10-24 cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.003 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 66.92 kJ/mol; (21)Boiling Point: 334.6 °C at 760 mmHg; (22)Vapour Pressure: 8.87E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CCCC)CCOCCOCCOCCO
(2) InChI: InChI=1/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3
(3) InChIKey: MXVMODFDROLTFD-UHFFFAOYAF