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

Name
3,6,9,12-Tetraoxahexadecan-1-ol
EINECS 216-322-1
CAS No. 1559-34-8
Article Data6
CAS DataBase
Density 1.003 g/cm³
Solubility 992g/L at 20℃
Melting Point
Formula C₁₂H₂₆O₅
Boiling Point 334.6 °C at 760 mmHg
Molecular Weight 250.335
Flash Point 156.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-(2-(2-Butoxyethoxy)ethoxy)ethoxy)ethanol;Tetraethyleneglycol butyl ether;Tetraethylene glycol monobutyl ether;Tetraoxyethylenemonobutyl ether;
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

Conditions	Yield
With sodium hydroxide; water at 100℃; for 24h;	A 10% B 64%

...Expand

: 75-21-8
oxirane

: 71-36-3
butan-1-ol

: 1559-34-8
tetraethylene glycol monobutyl ether

Conditions

Conditions	Yield
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

Conditions	Yield
With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 2h;

...Expand

: 112-60-7
Tetraethylene glycol

: 123-72-8
butyraldehyde

: 1559-34-8
tetraethylene glycol monobutyl ether

Conditions

Conditions	Yield
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

Conditions	Yield
With sodium hydroxide	94%

: 1559-34-8
tetraethylene glycol monobutyl ether

: 98-59-9
p-toluenesulfonyl chloride

: tetraethylene glycol monobutyl ether tosylate

Conditions

Conditions	Yield
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

Conditions	Yield
With toluene-4-sulfonic acid

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

Product Name

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

Synthetic route

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

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