TRITON™ X-305 Surfactant - 70% in H2O , CAS No.9002-93-1

CAS: 9002-93-1 Cat. No.: T434385 Formula: C₈H₁₇C₆H₄(OCH₂CH₂)nOH(n≈10) Beilstein Registry Number: 2315025 EC Number: 618-344-0 PubChem CID: 5590

GRADE & PURITY 70% in H2O

Synonyms

Igepal CA-210 | CAS_118-96-7 | PDSP1_001087 | Ethanol,1,3,3-tetramethylbutyl)phenoxy]- | 2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)ethan-1-ol | Octoxynol-1 | Triton X 305 | P-TERT-OCTYLPHENYL (2-HYDROXYETHYL)ETHER | AT25387 | Igepal CA 630 | FT-0673247 | T

Storage

Room temperature

Overview

Triton ™ X-305 is a non-ionic surfactant. This octylphenol ethoxylate has higher number of ethylene oxide units, increased cmc (Critical micelle concentration) and hydrophile/lipophile balance when compared to Triton ™ X-100. Triton X-305 is compatible with anionic, cationic, and other nonionic surfactants and chemically stable in most acidic and alkaline solutions.

Uses
Agrochemicals
Paints and coatings dispersions
Emulsion polymerization
Fiber lubricants
Benefits
Excellent emulsion stabilizer
Provides freeze/thaw & ionic stability
Effective at high temperatures
Good solubility in the presence of salts or electrolytes & caustic solutions

Application

Triton ™ X-305 has been used: In the treatment of cells for immunocytochemistry Along with peroxotungstic acid in the preparation of tungsten trioxide films by sol-gel method In the dispersion polymerization of styrene with activated poly(N-vinylpyrrolidone) (PVP) for the synthesis of lanthanide-encoded polystyrene particles

Specifications

Synonyms

Igepal CA-210 | CAS_118-96-7 | PDSP1_001087 | Ethanol,1,3,3-tetramethylbutyl)phenoxy]- | 2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)ethan-1-ol | Octoxynol-1 | Triton X 305 | P-TERT-OCTYLPHENYL (2-HYDROXYETHYL)ETHER | AT25387 | Igepal CA 630 | FT-0673247 | T

Specifications & Purity

70% in H2O

Legal Information

Tri-Chek is a trademark of Micro Essential Laboratory, Inc. Triton is a trademark of The Dow Chemical Company or an affiliated company of Dow

Storage

Room temperature

Names and Identifiers

Pubchem Sid

504750915

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750915

Canonical Smiles

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO

IUPAC Name

2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol

InChIKey

JYCQQPHGFMYQCF-UHFFFAOYSA-N

INCHI

1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO

WGK Germany

1

RTECS

MD0907700

Alternate CAS

9036-19-5

PubChem CID

5590

UN Number

3082

Beilstein

2315025

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: a small molecule

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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KCNH2 Tclin HERG (29587 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HaCaT (4069 Activities)

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in alcohol and soluble in water; Compatible with most polar organic solvents; Insoluble in fatty hydrocarbons and aromatic hydrocarbons; Chemically stable in most acidic and alkaline solutions; Compatible with anions, cations, and other non-ioni
• Refractive Index: 1.491
• Flash Point(°C): 251°C
• Boil Point(°C): 270°C
• Melt Point(°C): 6°C
• Molecular Weight: 250.380 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 250.193 Da
• Monoisotopic Mass: 250.193 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 232.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 9002-93-1, the molecular formula is C8H17C6H4(OCH2CH2)nOH. InChIKey JYCQQPHGFMYQCF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.