Heptaethylene Glycol Monododecyl Ether - ≥97% , CAS No.3055-97-8

CAS: 3055-97-8 Cat. No.: H157168 Molecular Weight: 494.71 EC Number: 221-283-9

GRADE & PURITY ≥97%

Synonyms

SY053059 | C12H25(OC2H4)7OH | 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol | C12E7 | Heptaethylene glycol monododecyl ether, BioXtra, >=98.0% (TLC) | HEPTAETHYLENEGLYCOLMONODODECYLETHER | Lauryl alcohol hexa(oxyethylene) ethanol | E78070 | AKOS025311016 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Heptaethylene glycol monododecyl ether is a non-ionic detergent compound.

Specifications

Synonyms

SY053059 | C12H25(OC2H4)7OH | 3, 6, 9, 12, 15, 18, 21-Heptaoxatritriacontan-1-ol | C12E7 | Heptaethylene glycol monododecyl ether, BioXtra, >=98.0% (TLC) | HEPTAETHYLENEGLYCOLMONODODECYLETHER | Lauryl alcohol hexa(oxyethylene) ethanol | E78070 | AKOS025311016 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755065
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755065
• Canonical Smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
• IUPAC Name: 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: DWHIUNMOTRUVPG-UHFFFAOYSA-N
• INCHI: 1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
• Molecular Weight: 494.71
• Reaxy-Rn: 1916066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1916066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Melt Point(°C): 27 °C
• Molecular Weight: 494.700 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 31
• Exact Mass: 494.382 Da
• Monoisotopic Mass: 494.382 Da
• Topological Polar Surface Area: 84.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 347.000
• 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