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Hexaethylene glycol monohexadecyl ether - BioReagent Plus, ≥99.0% (TLC), high purity , CAS No.5168-91-2
Basic Description
Synonyms
2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol | Procol ca-6 | 3GK4XZK07U | FT-0750755 | UNII-3GK4XZK07U | DTXSID10965959 | HY-W250179 | Hexaethylene glycol monohexadecyl ether | HEXAETHYLENEGLYCOLMONOHEXADECYLETHER | Ceteth-6 [INCI
Specifications & Purity
UltraBio™, Ultra pure, ≥99%(TLC)
Grade
Ultra pure, UltraBio™
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Dialkyl ethers
Direct Parent
Polyethylene glycols
Alternative Parents
Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
INCHI
InChI=1S/C28H58O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30-19-21-32-23-25-34-27-28-35-26-24-33-22-20-31-18-16-29/h29H,2-28H2,1H3
InChIKey
UOFCAQWHTQFNHS-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Isomeric SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Molecular Weight
506.76
Beilstein
1806735
Reaxy-Rn
1806735
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806735&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
39-40℃
Molecular Weight
506.800 g/mol
XLogP3
6.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
32
Exact Mass
506.418 Da
Monoisotopic Mass
506.418 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
358.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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