Basic information
- Name:
3,6,9,12-Tetraoxatetracosan-1-ol
- Superlist Name:
- Tetraethyleneglycol monododecyl ether
- CAS No.:
5274-68-0
- Molecular Structure:
- Formula:
- C20H42O5
- Molecular Weight:
- 362.54
- Synonyms:
- Dodecyl tetraethylene glycolether;Ethanol, 2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]-;Tetraethylene glycol dodecyl ether;Tetraoxyethylene glycol dodecyl ether;n-Dodecyl tetraethylene glycolether;
- EINECS:
- 226-097-1
- Density:
- 0.95 g/cm3
- Boiling Point:
- 450.3 °C at 760 mmHg
- Flash Point:
- 226.1 °C
- Appearance:
- white solid or colourless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
- Transport Information:
- UN 3082 9/PG 3
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Specification
The IUPAC name of 3,6,9,12-Tetraoxatetracosan-1-ol is 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol. With the CAS registry number 5274-68-0, it is also named as Dodecyltetraethylene glycol monoether. The product's categories are Ether Type (Surfactants); Ethylene Glycols & Monofunctional Ethylene Glycols; Functional Materials; Monofunctional Ethylene Glycols; Nonionic Surfactants; Surfactants. Besides, it is white solid or colourless liquid, which should be sealed in dark, cool and dry place at 2-8 °C. It is used as an emulsifier. In addition, its molecular formula is C20H42O5 and molecular weight is 362.54.
The other characteristics of 3,6,9,12-Tetraoxatetracosan-1-ol can be summarized as: (1)EINECS: 226-097-1; (2)ACD/LogP: 3.97; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.97; (5)ACD/LogD (pH 7.4): 3.97; (6)ACD/BCF (pH 5.5): 615.87; (7)ACD/BCF (pH 7.4): 615.87; (8)ACD/KOC (pH 5.5): 3453.96; (9)ACD/KOC (pH 7.4): 3453.96; (10)#H bond acceptors: 5; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 23; (13)Polar Surface Area: 46.15 Å2; (14)Index of Refraction: 1.453; (15)Molar Refractivity: 103.22 cm3; (16)Molar Volume: 381.6 cm3; (17)Polarizability: 40.92×10-24cm3; (18)Surface Tension: 34.2 dyne/cm; (19)Density: 0.949 g/cm3; (20)Flash Point: 226.1 °C; (21)Enthalpy of Vaporization: 81.82 kJ/mol; (22)Boiling Point: 450.3 °C at 760 mmHg; (23)Vapour Pressure: 5.31E-10 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCO
(2)InChI: InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3
(3)InChIKey: WPMWEFXCIYCJSA-UHFFFAOYSA-N
