Nonylphenol Ethoxylate(Tergitol NP-40) - mixture of isomers , CAS No.9016-45-9

CAS: 9016-45-9 Cat. No.: N118821 EC Number: 500-024-6

GRADE & PURITY mixture of isomers

Synonyms

Nonal 202 | NONOXYNOL [MI] | Nonoxynol-2 | NONOXYNOL-2 [INCI] | Adekatol NP | DSSTox_RID_79288 | FT-0673036 | SCHEMBL285443 | Tox21_302133 | MFCD00148006 | Poly(oxy-1,2-ethanediyl),I<<-(nonylphenyl)-Ass-hydroxy-,branched | SR-01000944802-1

Storage

Room temperature

Shipped In

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Overview

A non-ionic surfactant used in the isolation and purification of functional membrane protein complexes and in two-dimensional (2D) gel electrophoresis.

Specifications

Synonyms

Nonal 202 | NONOXYNOL [MI] | Nonoxynol-2 | NONOXYNOL-2 [INCI] | Adekatol NP | DSSTox_RID_79288 | FT-0673036 | SCHEMBL285443 | Tox21_302133 | MFCD00148006 | Poly(oxy-1, 2-ethanediyl), I<<-(nonylphenyl)-Ass-hydroxy-, branched | SR-01000944802-1

Specifications & Purity

mixture of isomers

Storage

Room temperature

Shipped In

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

Names and Identifiers

• Pubchem Sid: 488182923
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182923
• IUPAC Name: 2-[2-(4-nonylphenoxy)ethoxy]ethanol
• InChIKey: BLXVTZPGEOGTGG-UHFFFAOYSA-N
• INCHI: 1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
• Isomeric SMILES: CCCCCCCCCC1=CC=C(C=C1)OCCOCCO
• WGK Germany: 2
• RTECS: AX0247000
• Alternate CAS: 26027-38-3；68412-54-4
• UN Number: 3082
• Packing Group: III

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 113 °C
• Boil Point(°C): 290 °C
• Molecular Weight: 308.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 308.235 Da
• Monoisotopic Mass: 308.235 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 225.000
• 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

References

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