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| CAS No.: | 3055-93-4 |
|---|---|
| Name: | 2-(2-DODECYLOXYETHOXY)ETHANOL |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C16H34O3 |
| Molecular Weight: | 274.444 |
| Synonyms: | LA 2(alcohol);Nikkol BL 2SY;Simulsol P 2;2-[2-(Dodecyloxy)ethoxy]ethanol;Bis(oxyethylene) dodecyl ether;C12EO2;Diethylene glycol dodecyl ether;Diethylene glycol monododecyl ether;Diethyleneglycol lauryl ether;Diethyleneglycol monolauryl ether;Dodecyl diethylene glycol;LA 2; |
| EINECS: | 221-279-7 |
| Density: | 0.906 g/cm3 |
| Melting Point: | 165 °C |
| Boiling Point: | 371.141 °C at 760 mmHg |
| Flash Point: | 178.26 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 26 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 38.69000 |
| LogP: | 3.93280 |
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Specification
The Ethanol,2-[2-(dodecyloxy)ethoxy]-, with the CAS registry number 3055-93-4, is also known as Daturine hydrobromide. It belongs to the product categories of Ether Type (Surfactants); Nonionic Surfactants; Ethylene Glycols & Monofunctional Ethylene Glycols; Functional Materials; Monofunctional Ethylene Glycols; Surfactants. Its EINECS registry number is 221-279-7. This chemical's molecular formula is C16H34O3 and molecular weight is 274.44. What's more, its IUPAC name and systematic name are the same which is called 2-[2-(Dodecyloxy)ethoxy]ethanol. Additionally, it should be preserved hermetically and put in a cool, dry place. It is clear colorless liquid.
Physical properties about Ethanol,2-[2-(dodecyloxy)ethoxy]-: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2157.18; (6)ACD/BCF (pH 7.4): 2157.18; (7)ACD/KOC (pH 5.5): 8472.11; (8)ACD/KOC (pH 7.4): 8472.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 81.2 cm3; (15)Molar Volume: 302.8 cm3; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.906 g/cm3; (18)Flash Point: 178.3 °C; (19)Enthalpy of Vaporization: 71.52 kJ/mol; (20)Boiling Point: 371.1 °C at 760 mmHg; (21)Vapour Pressure: 5.07E-07 mmHg at 25 °C; (22)Melting point: 165°C.
Preparation of Ethanol,2-[2-(dodecyloxy)ethoxy]-: It can be obtained by 2,2'-Oxy-bis-ethanol and 1-Bromo-dodecane. The reaction occurs with reagent NaH and solvent Dimethylsulfoxide at temperature of 90 °C. The yield is 59 %.
![Ethanol,2-[2-(dodecyloxy)ethoxy]- can be obtained by 2,2'-Oxy-bis-ethanol and 1-Bromo-dodecane](/UserFilesUpload/Preparation of Ethanol,2-[2-(dodecyloxy)ethoxy]-.png){kind=small}
Uses of Ethanol,2-[2-(dodecyloxy)ethoxy]-: it is used to produce other chemicals. For example, it can react with Formic acid to get Formic acid 2-(2-dodecyloxy-ethoxy)-ethyl ester. The reaction occurs with catalyst p-Toluenesulfonic acid at temperature of 85 °C for 4 hours. The yield is 92 %.
![Ethanol,2-[2-(dodecyloxy)ethoxy]- can react with Formic acid to get Formic acid 2-(2-dodecyloxy-ethoxy)-ethyl ester](/UserFilesUpload/Uses of Ethanol,2-[2-(dodecyloxy)ethoxy]-.png){kind=small}
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes or other mucous membranes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)[C@H](CO)c2ccccc2
(2) InChI: InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/m1./s1
(3) InChIKey: VZDNSFSBCMCXSK-PGQIENJJBN