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| CAS No.: | 3055-99-0 |
|---|---|
| Name: | NONAETHYLENE GLYCOL MONODODECYL ETHER |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C30H62O10 |
| Molecular Weight: | 582.816 |
| Synonyms: | Ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Nonaethylene glycol monododecyl ether;Dodecylnonaoxyethylene glycol monoether; |
| EINECS: | 221-284-4 |
| Density: | 1.007 g/cm3 |
| Melting Point: | 33-36 °C |
| Boiling Point: | 615.857 °C at 760 mmHg |
| Flash Point: | 326.259 °C |
| Safety: | 23-24/25 |
| PSA: | 103.30000 |
| LogP: | 4.04900 |
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| Conditions | Yield |
|---|---|
| With K10 clay at 50℃; | 94% |
| With potassium hydroxide at 140 - 170℃; |
| Conditions | Yield |
|---|---|
| Stage #1: Hexaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: C6H12O6S In tetrahydrofuran; mineral oil pH=2; Inert atmosphere; Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere; | 77% |
| Stage #1: Hexaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran at 0 - 20℃; for 0.5h; Stage #2: C6H12O6S In tetrahydrofuran at 20℃; for 3h; Stage #3: With sulfuric acid In tetrahydrofuran; water at 20 - 80℃; for 2h; | 77% |
- 17464-54-9
1-{2-[2-(2-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-dodecane
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2,2'-[1,2-ethanediylbis(oxy)]bisethanol
- 3055-99-0
polidocanol
| Conditions | Yield |
|---|---|
| With sodium |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: triethylamine; dmap; thionyl chloride / dichloromethane / 0 - 25 °C 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: pH 2 / Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1.1: triethylamine; dmap; thionyl chloride / dichloromethane / 0 - 25 °C 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: pH 2 / Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere 3.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 3.2: pH 2 / Inert atmosphere 3.3: 2 h / 80 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 4 steps 1.1: triethylamine; dmap; thionyl chloride / dichloromethane / 0 - 25 °C 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere 3.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 3.2: pH 2 / Inert atmosphere 3.3: 2 h / 80 °C / Inert atmosphere 4.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 4.2: pH 2 / Inert atmosphere 4.3: 2 h / 80 °C / Inert atmosphere View Scheme |
- 3055-99-0
polidocanol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 1.2: pH 2 / Inert atmosphere 1.3: 2 h / 80 °C / Inert atmosphere 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: pH 2 / Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 1.2: Inert atmosphere 1.3: 2 h / 80 °C / Inert atmosphere 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: pH 2 / Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere 3.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 3.2: pH 2 / Inert atmosphere 3.3: 2 h / 80 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.25 h / 0 - 20 °C 1.2: 3 h / 20 °C 1.3: 2 h / 20 °C 2.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C 2.2: 3 h / 20 °C 2.3: 2 h / 20 - 80 °C 3.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C 3.2: 3 h / 20 °C 3.3: 2 h / 20 - 80 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 1.2: pH 2 / Inert atmosphere 1.3: 2 h / 80 °C / Inert atmosphere 2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere 2.2: pH 2 / Inert atmosphere 2.3: 2 h / 80 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C 1.2: 3 h / 20 °C 1.3: 2 h / 20 - 80 °C 2.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C 2.2: 3 h / 20 °C 2.3: 2 h / 20 - 80 °C View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: polidocanol With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran; mineral oil Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene at 150℃; for 35h; Molecular sieve; | 83.12% |
| Conditions | Yield |
|---|---|
| Stage #1: polidocanol With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: C6H12O6S In tetrahydrofuran; mineral oil pH=2; Inert atmosphere; Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere; | 59% |
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate at 62℃; under 15 Torr; for 24h; Enzymatic reaction; | 38.19 g |
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Specification
The IUPAC name of Polidocanol is 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. With the CAS registry number 3055-99-0, it is also named as Dodecylnonaoxyethylene glycol monoether. Besides, it should be stored in sealed, cool and dry place at 2-8 °C. When you are using this chemical, please do not breathe vapour. And you should avoid contact with skin and eyes. In addition, its molecular formula is C30H62O10 and molecular weight is 582.8073.
The other characteristics of this product can be summarized as: (1)EINECS: 221-284-4; (2)ACD/LogP: 2.18; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 2.18; (5)ACD/LogD (pH 7.4): 2.18; (6)ACD/BCF (pH 5.5): 26.82; (7)ACD/BCF (pH 7.4): 26.82; (8)ACD/KOC (pH 5.5): 366.55; (9)ACD/KOC (pH 7.4): 366.55; (10)#H bond acceptors: 10; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 38; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 158.27 cm3; (15)Molar Volume: 578.5 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 326.3 °C; (19)Melting Point: 33-36 °C; (20)Enthalpy of Vaporization: 104.76 kJ/mol; (21)Boiling Point: 615.9 °C at 760 mmHg; (22)Vapour Pressure: 9.63E-18 mmHg at 25 °C.
Uses of Polidocanol: this chemical is a sclerosant. It causes fibrosis inside varicose veins, occluding the lumen of the vessel, and reducing the appearance of the varicosity.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(CCOCCOCCO)CCOCCOCCOCCCCCOCCOCCCCCCCCCCCC
(2)InChI: InChI=1/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
(3)InChIKey: ONJQDTZCDSESIW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
(5)Std. InChIKey: ONJQDTZCDSESIW-UHFFFAOYSA-N