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5168-89-8

Basic Information
CAS No.: 5168-89-8
Name: HEXAETHYLENE GLYCOL MONODECYL ETHER
Molecular Structure:
Molecular Structure of 5168-89-8 (HEXAETHYLENE GLYCOL MONODECYL ETHER)
Formula: C22H46O7
Molecular Weight: 422.603
Synonyms: Ethanol, 2-[2-[2-[2-[2-[2-(decyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Hexaethylene glycol decyl ether;Hexaethylene glycol, monodecyl ether;2-[2-[2-[2-[2-(2-Decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;
Density: 0.988 g/cm3
Boiling Point: 496.6 °C at 760 mmHg
Flash Point: 254.2 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-41
Safety: 26-39
PSA: 75.61000
LogP: 3.21900
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Specification

The 3,6,9,12,15,18-Hexaoxaoctacosan-1-ol is an organic compound with the formula C22H46O7. The IUPAC name of this chemical is 2-[2-[2-[2-[2-(2-Decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol. With the CAS registry number 5168-89-8, it is also named as Hexaethylene glycol decyl ether. Besides, it should be stored at 2-8 °C.

The physical properties of 3,6,9,12,15,18-Hexaoxaoctacosan-1-ol are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.38; (5)ACD/BCF (pH 7.4): 27.38; (6)ACD/KOC (pH 5.5): 371.99; (7)ACD/KOC (pH 7.4): 371.99; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 27; (11)Polar Surface Area: 64.61 Å2; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 115.97 cm3; (14)Molar Volume: 427.3 cm3; (15)Polarizability: 45.97×10-24 cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 0.988 g/cm3; (18)Flash Point: 254.2 °C; (19)Enthalpy of Vaporization: 88.05 kJ/mol; (20)Boiling Point: 496.6 °C at 760 mmHg; (21)Vapour Pressure: 6.05E-12 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical has risk of serious damage to eyes. When you are using it, wear eye/face protection. In case of 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(CCOCCCCCCCCCC)CCOCCOCCOCCOCCO
(2)InChI: InChI=1/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3
(3)InChIKey: GLGQRQQFWLTGES-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3
(5)Std. InChIKey: GLGQRQQFWLTGES-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 6400mg/kg (6400mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A359, Pg. 1983,
mammal (species unspecified) LD50 unreported 5gm/kg (5000mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 405, 1971.
rat LD50 oral > 5gm/kg (5000mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.