4-Nonylphenol branched ethoxylated - Type NP-9 , CAS No.127087-87-0

CAS: 127087-87-0 Cat. No.: T111875 EC Number: 500-315-8

GRADE & PURITY Type NP-9

Synonyms

4-n-Nonylphenol-mono-ethoxylate 10 microg/mL in Acetone | Nonoxinol | Ethanol, 2-(4-nonylphenoxy)- | NONOXYNOL | Nonoxynols | AKOS026749958 | Nonylphenol-1-ethoxylate | Nonoxynol 4 (USAN) | ETHYLENE GLYCOL P-NONYLPHENYL ETHER | DTXSID4058601 | FT-0673037

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

4-n-Nonylphenol-mono-ethoxylate 10 microg/mL in Acetone | Nonoxinol | Ethanol, 2-(4-nonylphenoxy)- | NONOXYNOL | Nonoxynols | AKOS026749958 | Nonylphenol-1-ethoxylate | Nonoxynol 4 (USAN) | ETHYLENE GLYCOL P-NONYLPHENYL ETHER | DTXSID4058601 | FT-0673037

Specifications & Purity

Type NP-9

Storage

Room temperature

Shipped In

FedEx DG Service

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

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC1=CC=C(C=C1)OCCO
• IUPAC Name: 2-(4-nonylphenoxy)ethanol
• InChIKey: KUXGUCNZFCVULO-UHFFFAOYSA-N
• INCHI: 1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
• Isomeric SMILES: CCCCCCCCCC1=CC=C(C=C1)OCCO
• WGK Germany: 2
• UN Number: 3082
• Packing Group: III
• Reaxy-Rn: 2111973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111973&ln=

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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 264.400 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 264.209 Da
• Monoisotopic Mass: 264.209 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 186.000
• 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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4. Zhaohua Wang, Sayma Sathi, Xiaofeng Niu, Qikang Tian, Gang Zhang, Jinming Zhao.  (2025)  Humidity and temperature control performance of metal organic frameworks and microencapsulated PCMs composite material.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.142186]

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