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Octaethylene glycol

Octaethylene glycol structure

CAS No:
5117-19-1
Formula:
C16H34O9
Chemical Name:
Octaethylene glycol
Synonyms:
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol;Octaethylene glycol;2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;137378-28-0
Categories:
Cosmetic Ingredient > Dissolving Agent

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Description

Octaethylene glycol is a poly(ethylene glycol).

Octaethylene glycol Basic Attributes

Molecular Weight：

370.44

Exact Mass：

370.44

EC Number：

225-856-4

DSSTox ID：

DTXSID3058618

HScode：

2909499000

Characteristics

PSA：

105

XLogP3：

-2.2

Density：

1.1±0.1 g/cm3

Melting Point：

22 °C

Boiling Point：

175 °C @ Press: 0.01 Torr

Flash Point：

239.0±27.3 °C

Refractive Index：

1.463

Safety Information

wgk germany：

Octaethylene glycol Use and Manufacturing

Methods of Manufacturing

A solution of rapamycin (0.5 g, 547 mmol) and 2-[2-[2-[2-[2-[2-[2-(2- hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (0.2 g, 0.547 mmol, 3 mL) and p-toluenesulfonic acid hydrate (0.52 g, 2.73 mmol) in THF (15 mL) was stirred at room temperature for 3 hours, then quenched with EtOAc (30 mL × 3). The combined organic layers were washed with ice cold saturated NaHCO3 solution and concentrated. The resulting crude material was purified by reverse phase chromatography (CH3CN/pure water = 7:3) to obtain (21E, 23E, 25E, 26E, 42R, 43S, 44R, 45R, 47S, 49S, 51S, 52S, 53R, 54R, 63R)-53, 63- dihydroxy-51-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy] ethoxy]ethoxy]-52-[(1R)-2-[(1S, 3R, 4R)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-ethyl]- 54-methoxy-42, 43, 44, 45, 55, 56-hexamethyl-74, 75-dioxa-64-azatricyclohexatriaconta- 21, 23, 25(55), 26(56)-tetraene-57, 58, 59, 60, 61-pentone (I-24: 0.13 g, 19%) as a white solid. MS (EI+, m/z): 1275.6[M+Na]+. 1H NMR (500 MHz, CDCl3) d 6.45- 5.80 (m, 4H), 5.57- 5.05 (m, 4H), 4.85- 4.08 (m, 2H), 3.90- 3.50 (m, 34H), 3.47- 3.24 (m, 13H), 2.97- 2.44 (m, 7H), 2.39- 2.06 (m, 2H), 2.03- 1.84 (m, 6H), 1.78- 1.58 (m, 13H), 1.53- 1.16 (m, 9H), 1.14- 0.78 (m, 18H), 0.67-0.53 (m, 1H).

Use Classification：

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Cosmetics -> Humectant; Solvent

Computed Properties

Molecular Weight:370.44
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:22
Exact Mass:370.22028266
Monoisotopic Mass:370.22028266
Topological Polar Surface Area:105
Heavy Atom Count:25
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Octaethylene glycol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Octaethylene glycol

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