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| CAS No.: | 3055-94-5 |
|---|---|
| Name: | TRIETHYLENE GLYCOL MONO-N-DODECYL ETHER |
| Molecular Structure: | |
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| Formula: | C18H38 O4 |
| Molecular Weight: | 318.497 |
| Synonyms: | 3,6,9-Trioxaheneicosan-1-ol(8CI);2-[2-[2-(Dodecyloxy)ethoxy]ethanol;Dodecyl triethylene glycol;Ethal 326;LEA;Laureth-3;Lauryl alcohol triglycol ether;Lauryltriethoxylate;Lauryl triglycol ether;Nikkol BL 3SY;Tris(oxyethylene) dodecyl ether;n-Dodecyl triethylene glycol ether;SINOPOL 1103; |
| EINECS: | 221-280-2 |
| Density: | 0.93 g/cm3 |
| Melting Point: | 16.5-17.0 °C |
| Boiling Point: | 412 °C at 760 mmHg |
| Flash Point: | 202.9 °C |
| Appearance: | solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 47.92000 |
| LogP: | 3.94940 |
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Specification
The Triethylene glycol mono-N-dodecyl ether, with the cas registry number 3055-94-5, has the IUPAC name of 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol. Stable. Combustible. Incompatible with strong oxidizing agents. product categories: Ether Type (Surfactants); Ethylene Glycols & Monofunctional Ethylene Glycols; Functional Materials; Monofunctional Ethylene Glycols; Nonionic Surfactants; Surfactants
The physical properties of this chemical are as follows: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1152.62; (6)ACD/BCF (pH 7.4): 1152.62; (7)ACD/KOC (pH 5.5): 5409.47; (8)ACD/KOC (pH 7.4): 5409.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 36.92; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 92.21 cm3; (15)Molar Volume: 342.2 cm3; (16)Polarizability: 36.55 ×10-24 cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.93 g/cm3; (19)Flash Point: 202.9 °C; (20)Enthalpy of Vaporization: 76.78 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-08 mmHg at 25°C; (23)Exact Mass: 318.27701; (24)MonoIsotopic Mass: 318.27701; (25)Topological Polar Surface Area: 47.9; (26)Heavy Atom Count: 22; (27)Formal Charge: 0; (28)Complexity: 188.
The use of this chemical: Triethylene glycol mono-N-dodecyl ether could react with chloroacetic acid; sodium salt to produce {2-[2-(2-dodecyloxy-ethoxy)-ethoxy]-ethoxy}-acetic acid, with the following condition: reagent: Na; solvent: xylene; reaction time: 16 hours; reaction temp.: 110 - 130 °C; yield: 62%.
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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: CCCCCCCCCCCCOCCOCCOCCO
(2)InChI: InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-1219/h19H,2-18H2,1H3
(3)InChIKey: FKMHSNTVILORFA-UHFFFAOYSA-N