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Cas Database |
| Name |
3,6,9,12-Tetraoxahexadecan-1-ol |
EINECS | 216-322-1 |
| CAS No. | 1559-34-8 | Density | 1.003 g/cm3 |
| PSA | 57.15000 | LogP | 0.84520 |
| Solubility | 992g/L at 20℃ | Melting Point |
N/A |
| Formula | C12H26O5 | Boiling Point | 334.6 °C at 760 mmHg |
| Molecular Weight | 250.335 | Flash Point | 156.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(2-(2-(2-Butoxyethoxy)ethoxy)ethoxy)ethanol;Tetraethyleneglycol butyl ether;Tetraethylene glycol monobutyl ether;Tetraoxyethylenemonobutyl ether; |
Article Data | 6 |
3,6,9,12-Tetraoxahexadecan-1-ol 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 | Yield |
|---|---|
| With sodium hydroxide; water at 100℃; for 24h; | A 10% B 64% |
| 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 | Yield |
|---|---|
| With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 2h; |
| 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. |
| Conditions | Yield |
|---|---|
| With sodium hydroxide | 94% |
| 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 | 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
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