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19327-38-9

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Basic Information
CAS No.: 19327-38-9
Name: C8E3
Article Data: 11
Molecular Structure:
Molecular Structure of 19327-38-9 (C8E3)
Formula: C14H30O4
Molecular Weight: 262.39
Synonyms: Aduxol Hex03;C8E3;Triethylene glycol mono-n-octyl ether;Triethylene glycol monooctylether;Triethylene glycol octyl ether;
EINECS: 231-791-2
Density: 0.949 g/cm3
Boiling Point: 353 °C at 760 mmHg
Flash Point: 167.3 °C
Hazard Symbols: R19:May form explosive peroxides.; R36/38:Irritating to eyes and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 23-24/25
PSA: 47.92000
LogP: 2.38900
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Specification

The CAS registry number of Ethanol,2-[2-[2-(octyloxy)ethoxy]ethoxy]- is 19327-38-9. This chemical is also named as Triethyleneglycolmonooctyl ether. In addition, its molecular formula is C14H30O4 and molecular weight is 262.39. Its systematic name and IUPAC name are the same which is called 2-[2-(2-octoxyethoxy)ethoxy]ethanol. Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You should avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 27.95; (6)ACD/BCF (pH 7.4): 27.95; (7)ACD/KOC (pH 5.5): 377.52; (8)ACD/KOC (pH 7.4): 377.52; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 73.67 cm3; (14)Molar Volume: 276.2 cm3; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 0.949 g/cm3; (17)Flash Point: 167.3 °C; (18)Enthalpy of Vaporization: 69.22 kJ/mol; (19)Boiling Point: 353 °C at 760 mmHg.

Uses of Ethanol,2-[2-[2-(octyloxy)ethoxy]ethoxy]-: it can be used to produce hexatriethylene glycol mono-octyl ether-cyclophosphazene by heating. It will need reagents NaH, hexachlorocyclophosphazene and solvent tetrahydrofuran with reaction time of 48 hours. The yield is about 30 %.

Ethanol,2-[2-[2-(octyloxy)ethoxy]ethoxy]- can be used to produce hexatriethylene glycol mono-octyl ether-cyclophosphazene

You can still convert the following datas into molecular structure:
(1)SMILES: OCCOCCOCCOCCCCCCCC
(2)InChI: InChI=1/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3
(3)InChIKey: XIVLVYLYOMHUGB-UHFFFAOYAO