2-(2,4-Diaminophenoxy)ethanol sulfate - ≥95% , CAS No.70643-20-8

CAS: 70643-20-8 Cat. No.: D194701 Molecular Weight: 266.27 EC Number: 274-713-2

GRADE & PURITY ≥95%

Synonyms

671N06DARL | AKOS015889675 | 1,3-diamino-4-(2-hydroxyethoxy)benzene sulfate | JAROCOL DPE | 2,4-DIAMINOPHENOXYETHANOL SULFATE | DTXSID70892454 | 2,4-Diaminophenoxy ethanol H2SO4 | FT-0746775 | 2-(2,4-diaminophenoxy)ethan-1-ol; sulfuric acid | 4-(2-HYDRO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-(2,4-Diaminophenoxy)ethanol sulfate is a chemical compound primarily used in the cosmetic industry, particularly in hair dye formulations. It is known for its role as an oxidative hair dye ingredient, providing color to hair when mixed with hydrogen peroxide

Specifications

Synonyms

671N06DARL | AKOS015889675 | 1, 3-diamino-4-(2-hydroxyethoxy)benzene sulfate | JAROCOL DPE | 2, 4-DIAMINOPHENOXYETHANOL SULFATE | DTXSID70892454 | 2, 4-Diaminophenoxy ethanol H2SO4 | FT-0746775 | 2-(2, 4-diaminophenoxy)ethan-1-ol; sulfuric acid | 4-(2-HYDRO

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

2-(2, 4-Diaminophenoxy)ethanol sulfate, commonly referred to as DAPES, is a compound that has garnered attention primarily for its use in cosmetic formulations, particularly hair dyes. This article explores its biological activity, including its safety pro

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1N)N)OCCO.OS(=O)(=O)O
• IUPAC Name: 2-(2,4-diaminophenoxy)ethanol;sulfuric acid
• InChIKey: UUHBEKCQQLDQNG-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O2.H2O4S/c9-6-1-2-8(7(10)5-6)12-4-3-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC(=C(C=C1N)N)OCCO.OS(=O)(=O)O
• Molecular Weight: 266.27
• Reaxy-Rn: 11342282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11342282&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Organic sulfuric acids Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Sulfuric acid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Ether - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• Molecular Weight: 266.270 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 266.057 Da
• Monoisotopic Mass: 266.057 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 214.000
• 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: 2

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