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| CAS No.: | 3055-97-8 |
|---|---|
| Name: | Dodecylheptaglycol |
| Molecular Structure: | |
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| Formula: | C26H54O8 |
| Molecular Weight: | 494.71 |
| Synonyms: | 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol;C12E7;C12EO7;Dodecanol heptaethoxy ether;Ethanol,2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Heptaethylene glycol dodecyl ether;Heptaethylene glycol n-dodecyl ether;Heptaethylene glycol, monododecyl ether;Heptaethyleneglycol monolauryl ether;Mergital LT 7;Nikkol BL 7SY;Pingpingjia 7;Rhodasurf LA-7;SINOPOL 1107L; |
| EINECS: | 221-283-9 |
| Density: | 0.99 g/cm3 |
| Melting Point: | 27-29 °C |
| Boiling Point: | 553.945 °C at 760 mmHg |
| Flash Point: | 288.816 °C |
| Appearance: | Liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 84.84000 |
| LogP: | 4.01580 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With K10 clay at 50℃; | 94% |
| With potassium hydroxide at 140 - 170℃; |
| Conditions | Yield |
|---|---|
| Stage #1: tetraethylene 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; | 88% |
- 81782-65-2
1-(2-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane
- 112-27-6
2,2'-[1,2-ethanediylbis(oxy)]bisethanol
- 3055-97-8
heptaethylene glycol monododecyl ether
| 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 |
| Conditions | Yield |
|---|---|
| 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 |
- 3055-97-8
heptaethylene glycol monododecyl ether
| 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 |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide; zinc(II) oxide / 3 h / 210 °C / Inert atmosphere 2: potassium hydroxide / 1 h / 110 - 140 °C / 1500.15 Torr / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 110 - 140℃; under 1500.15 Torr; for 1h; Inert atmosphere; |
- 3055-97-8
heptaethylene glycol monododecyl ether
- 74-88-4
methyl iodide
- 63425-08-1
1-(2-{2-[2-(2-{2-[2-(2-Methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane
| Conditions | Yield |
|---|---|
| Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran; mineral oil Inert atmosphere; | 94% |
- 60705-96-6
(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
- 3055-97-8
heptaethylene glycol monododecyl ether
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene at 150℃; for 35h; Molecular sieve; | 88.11% |
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Specification
The Dodecylheptaglycol, with the cas registry number 3055-97-8, has the IUPAC name of 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. Its product categories are including Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.95; (6)ACD/BCF (pH 7.4): 93.95; (7)ACD/KOC (pH 5.5): 899.09; (8)ACD/KOC (pH 7.4): 899.09; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 73.84; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 136.25 cm3; (15)Molar Volume: 499.7 cm3; (16)Polarizability: 54.01×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 288.8 °C; (20)Enthalpy of Vaporization: 95.96 kJ/mol; (21)Boiling Point: 553.9 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-14 mmHg at 25°C; (23)Exact Mass: 494.381869; (24)MonoIsotopic Mass: 494.381869; (25)Topological Polar Surface Area: 84.8; (26)Heavy Atom Count: 34; (27)Formal Charge: 0; (28)Complexity: 347.
When you are dealing with this chemical, you should be very cautious. For being a kind of irritant chemical to eyes, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
(3)InChIKey: DWHIUNMOTRUVPG-UHFFFAOYSA-N