-
Name
3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatetracontan-1-ol
- EINECS 221-286-5
- CAS No. 3056-00-6
- Article Data6
- CAS DataBase
- Density 1.026
- Solubility
- Melting Point
- Formula C36H74 O13
- Boiling Point 700.8 ºC at 760 mmHg
- Molecular Weight 714.976
- Flash Point 377.6 ºC
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Dodecaethylenemonododecyl ether;Dodecaethyleneglycol dodecyl ether;Ethanol,2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Laureth-12;
- PSA 130.99000
- LogP 4.09880
Laureth-12 Specification
The Laureth-12, with the cas registry number 3056-00-6, has the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
The physical properties of this chemical are as follows: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.09; (6)ACD/BCF (pH 7.4): 4.09; (7)ACD/KOC (pH 5.5): 95.42; (8)ACD/KOC (pH 7.4): 95.42; (9)#H bond acceptors: 13; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 47; (12)Polar Surface Area: 119.99; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 191.3 cm3; (15)Molar Volume: 696.6 cm3; (16)Polarizability: 75.84 ×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.026 g/cm3; (19)Flash Point: 377.6 °C; (20)Enthalpy of Vaporization: 117.27 kJ/mol; (21)Boiling Point: 700.8 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-22 mmHg at 25°C; (23)Exact Mass: 714.512942; (24)MonoIsotopic Mass: 714.512942; (25)Topological Polar Surface Area: 131; (26)Heavy Atom Count: 49; (27)Formal Charge: 0; (28)Complexity: 563.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1S/C36H74O13/c1-2-3-4-5-6-7-8-9-10-11-13-38-15-17-40-19-21-42-23-25-44-27-29-46-31-33-48-35-36-49-34-32-47-30-28-45-26-24-43-22-20-41-18-16-39-14-12-37/h37H,2-36H2,1H3
(3)InChIKey: WMPGRAUYWYBJKX-UHFFFAOYSA-N
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