Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol |
EINECS | 231-791-2 |
CAS No. | 3055-98-9 | Density | 0.999 g/cm3 |
PSA | 94.07000 | LogP | 4.03240 |
Solubility | N/A | Melting Point |
30oC |
Formula | C28H58O9 | Boiling Point | 585.5 °C at 760 mmHg |
Molecular Weight | 538.763 | Flash Point | 307.9 °C |
Transport Information | N/A | Appearance | colourless solid |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
C12E8;C12EO8;Dodecyl octaethylene glycol ether;Dodecyl octaethylene glycolmonoether;Empilan KBS 8;Ethanol,2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Octa(ethylene oxide) dodecyl ether;Octaethylene glycol dodecyl ether;Octaethylene glycol lauryl ether;Octaethylene glycol mono(n-dodecyl)ether;Octaethylene glycol monododecyl ether;Octaethylene glycol monolauryl ether;Octaoxyethylene dodecyl ether;Octaoxyethylene glycol dodecyl ether;Octaoxyethylene glycol monododecyl ether;Octaoxyethylene monododecyl ether;n-Dodecyl octaethylene glycol monoether;a-Dodecyl-w-hydroxyoctakis(oxyethylene);SINOPOL 1100; |
Article Data | 7 |
Conditions | Yield |
---|---|
Stage #1: tetraethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: 1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide In tetrahydrofuran; mineral oil pH=2; Inert atmosphere; Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere; | 87% |
Tetraethylene glycol
1-(2-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane
Octa(ethylene oxide) dodecyl 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 | |
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 |
Octa(ethylene oxide) dodecyl 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 |
---|---|
Stage #1: Octa(ethylene oxide) dodecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran; mineral oil Inert atmosphere; | 90% |
Octa(ethylene oxide) dodecyl ether
Conditions | Yield |
---|---|
Stage #1: Octa(ethylene oxide) dodecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Stage #2: 1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide In tetrahydrofuran; mineral oil Inert atmosphere; | 70% |
Conditions | Yield |
---|---|
Stage #1: Octa(ethylene oxide) dodecyl ether With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.166667h; Inert atmosphere; Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran; mineral oil at 0 - 20℃; for 14h; Inert atmosphere; | 56% |
Octa(ethylene oxide) dodecyl ether
alpha cyclodextrin
Conditions | Yield |
---|---|
In water at 25℃; |
Conditions | Yield |
---|---|
In water at 25℃; |
Octa(ethylene oxide) dodecyl ether
cyclomaltooctaose
Conditions | Yield |
---|---|
In water at 25℃; |
The 3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol, with the CAS registry number 3055-98-9, is a kind of colourless solid, and it is incompatible with strong oxidizing agents. The molecular formula of the chemical is C28H58O9. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of 3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.2; (6)ACD/BCF (pH 7.4): 50.2; (7)ACD/KOC (pH 5.5): 574.07; (8)ACD/KOC (pH 7.4): 574.07; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 83.07 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 147.26 cm3; (15)Molar Volume: 539.1 cm3; (16)Polarizability: 58.38×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 0.999 g/cm3; (19)Flash Point: 307.9 °C; (20)Enthalpy of Vaporization: 100.41 kJ/mol; (21)Boiling Point: 585.5 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-16 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
(3)InChIKey: YYELLDKEOUKVIQ-UHFFFAOYAB