2-Hydroxyethyl cellulose（HEC） - average Mv ~1,300,000 , CAS No.9004-62-0

CAS: 9004-62-0 Cat. No.: H434472 EC Number: 618-387-5

GRADE & PURITY average Mv ~1,300,000

Synonyms

H11622 | Hydroxyethyl-cellulose | 2-Hydroxyethyl cellulose | DTXSID60873934 | 2-O-(2-Hydroxyethyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol | FT-0627136 | SCHEMBL23306563 | 5-[6-[[3,4-

Storage

Room temperature

Overview

Non-ionic water soluble polymer. Aqueous solutions are pseudoplastic. Readily disperses without lumping.

Application

Thickener, protective colloid, binder, stabilizer and suspending agent.

Specifications

Synonyms

H11622 | Hydroxyethyl-cellulose | 2-Hydroxyethyl cellulose | DTXSID60873934 | 2-O-(2-Hydroxyethyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol | FT-0627136 | SCHEMBL23306563 | 5-[6-[[3,4-

Specifications & Purity

average Mv ~1,300,000

Storage

Room temperature

Names and Identifiers

Pubchem Sid

508808508

Canonical Smiles

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O

IUPAC Name

5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

InChIKey

CWSZBVAUYPTXTG-UHFFFAOYSA-N

INCHI

1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3

Isomeric SMILES

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O

WGK Germany

1

RTECS

FJ5958000

Reaxy-Rn

24866087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24866087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds Oxanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - O-glycosyl compound - Glycosyl compound - Oxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 288-290°C
• Molecular Weight: 736.700 g/mol
• XLogP3: -7.700
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 15
• Exact Mass: 736.3 Da
• Monoisotopic Mass: 736.3 Da
• Topological Polar Surface Area: 315.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 999.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 20
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1