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3,6,9,12,15-Pentaoxahexadecan-1-ol (23778-52-1)

Identification
Name:3,6,9,12,15-Pentaoxahexadecan-1-ol
Synonyms:2,5,8,11,14-Pentaoxahexadecan-16-ol(6CI,7CI,8CI,9CI);Ethanol, 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-(7CI);3,6,9,12,15-Pentaoxahexadecanol;Methoxypentaethylene glycol;Pentaethylene glycol methyl ether;Pentaethylene glycol, monomethyl ether;
CAS:23778-52-1
EINECS: 245-874-6
Molecular Formula: C11H24O6
Molecular Weight: 252.3
InChI: InChI=1/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
Molecular Structure: (C11H24O6) 2,5,8,11,14-Pentaoxahexadecan-16-ol(6CI,7CI,8CI,9CI);Ethanol, 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]eth...
Properties
Flash Point: 154.7°C
Boiling Point: 332.3°Cat760mmHg
Density:1.053g/cm3
Refractive index:1.441
Specification:

The Pentaethylene glycol monomethyl ether, with CAS registry number 23778-52-1, belongs to the following product categories: (1)Ethylene Glycols & Monofunctional Ethylene Glycols; (2)Monofunctional Ethylene Glycols. It has the systematic name of 2,5,8,11,14-pentaoxahexadecan-16-ol. And its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol. What's more, its EINECS is 245-874-6.

Physical properties of Pentaethylene glycol monomethyl ether: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.46; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 63.27 cm3; (15)Molar Volume: 239.4 cm3; (16)Polarizability: 25.08×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 66.63 kJ/mol; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by [2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxymethyl]-benzene. This reaction will need reagent H2. The yield is about 97%.

Uses of Pentaethylene glycol monomethyl ether: it can be used to produce 2,5,8,11,14-pentaoxahexadecan-16-oic acid. This reaction will need reagents potassium hydroxide, potassium permanganate and solvent H2O. The reaction time is 12 hour(s). The yield is about 51%.

When you are using this chemical, please be cautious about it as the following:
The Pentaethylene glycol monomethyl ether irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCO)CCOCCOCCOCCOC
(2)InChI: InChI=1/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
(3)InChIKey: SLNYBUIEAMRFSZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
(5)Std. InChIKey: SLNYBUIEAMRFSZ-UHFFFAOYSA-N

Flash Point: 154.7°C
Safety Data
 

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