Styrenated phenol CAS# 61788-44-1

Western Reserve Chemical, a premier supplier of styrenated phenol applications, both distyrenated and tristyrenated phenol, leads the market in manufacturing and distributing this plastic/rubber antioxidant. It is FDA-approved for a rubber product used in contact with food.  Westco phenols are mostly used in elastomers and SBR
Western Reserve Chemical, or wrchem, as we refer to them, is an old client for whom we just launched a new, mobile-friendly website.  It’s a WordPress site that allows wrchem’s staff to easily update their products.  We are currently performing SEO/SEM, and this blog article is designed to promote their styrenated phenol.
Wrchem is one of our favorite clients, and we’ve been working with them for many, many years.  They offer a broad range of chemicals and additives for rubber and plastics.
Styrenated Phenol (SP) is a clear, yellow, non-staining, and non-discoloring antioxidant for dry rubber and latex compounds.  It is a viscous liquid and is supplied in 3 grades: Mono, Di, or Tri styrenated phenol, although WRCHEM only offers Di and Tri.  Styrenated phenol applications include:

• rubber sheets
• rubber tubing
• rubber straps
• latex products such as rubber gloves
• conveyor belt covers
• industrial gloves
• surgical gloves
• latex balloons

1. 2D Structure

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   from PubChem

2. 3D Conformer

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   from PubChem

3. Names and Identifiers

   1. Computed Descriptors

      1. IUPAC Name

         2,4-bis(ethenyl)phenol

         from PubChem

      2. InChI

         InChI=1S/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2

         from PubChem

      3. InChI Key

         GZGSEMRMKBBQGA-UHFFFAOYSA-N

         from PubChem

      4. Canonical SMILES

         C=CC1=CC(=C(C=C1)O)C=C

         from PubChem

   2. Molecular Formula

      C₁₀H₁₀O

      from PubChem

   3. Other Identifiers

      1. CAS

         61788-44-1

         from ChemIDplus, EPA Chemicals under the TSCA, European Chemicals Agency – ECHA

         61345-72-0

         from ChemIDplus

      2. EC Number

         262-975-0

         from European Chemicals Agency – ECHA

      3. UNII

         7X7JE9XCSI

         from FDA/SPL Indexing Data

   4. Synonyms

      1. Depositor-Supplied Synonyms

         1. Styrenated phenol
         2. Phenol, 2,4-diethenyl-
         3. Phenol, styrenated
         4. 2,4-divinylphenol
         5. UNII-7X7JE9XCSI
         6. 7X7JE9XCSI
         7. 61788-44-1
         8. 61345-72-0
         9. O,p-divinylphenol
         10. 2,4-diethenylphenol

         11. SCHEMBL465532
         12. UNII-21FX45P64N
         13. CCRIS 4915
         14. CTK2E1946
         15. 21FX45P64N
         16. EINECS 262-975-0
         17. AN-39256
         18. OR033401
         19. EC 262-975-0
         20. 9010-16-6

         from PubChem

4. Chemical and Physical Properties

   1. Computed Properties

      Property Name	Property Value
      Molecular Weight	146.189 g/mol
      Hydrogen Bond Donor Count	1
      Hydrogen Bond Acceptor Count	1
      Rotatable Bond Count	2
      Complexity	151
      CACTVS Substructure Key Fingerprint	AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwGAOIAACAAAIAABAAAQAABAAAAAAAAAA
      Topological Polar Surface Area	20.2 A^2
      Monoisotopic Mass	146.073 g/mol
      Exact Mass	146.073 g/mol
      XLogP3-AA	3.1
      Compound Is Canonicalized	true
      Formal Charge	0
      Heavy Atom Count	11
      Defined Atom Stereocenter Count	0
      Undefined Atom Stereocenter Count	0
      Defined Bond Stereocenter Count	0
      Undefined Bond Stereocenter Count	0
      Isotope Atom Count	0
      Covalently-Bonded Unit Count	1

      from PubChem

   2. Experimental Properties

      1. Physical Description

         Liquid

         from EPA Chemicals under the TSCA

5. Related Records

   1. Related Compounds with Annotation

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      • Medications (1)
      • Literature (65)
      • 3D Structure (20)
      • Bioactivities (216)
      • Patents (3448)

      

      Propofol

      1 – 1 of 1

      from PubChem

   2. Related Compounds

      Similar Compounds	3805 records
      Similar Conformers	2921 records

      from PubChem

   3. Substances

      1. Related Substances

         Same	14 records

         from PubChem

      2. Substances by Category

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         Chemical Vendors (5)

         Curation Efforts (4)

         Governmental Organizations (4)

         Research and Development (7)

         Legacy Depositors (1)

         from PubChem

6. Chemical Vendors

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   Vendor/Supplier	Purchasable Chemical	PubChem SID
   iChemical	EBD15891	318032425
   1717 CheMall Corporation	OR033401	254071497
   	OR301019	254237583
   ChemTik	CTK2E1946	162619151
   AN PharmaTech	AN-39256	223676376

   from PubChem

7. Use and Manufacturing

   1. Uses

      1. Industry Uses

         1. CBI
         2. Intermediates
         3. Surface active agents

         from EPA Chemicals under the TSCA

8. Safety and Hazards

   1. Hazards Identification

      1. GHS Classification

         

         Signal: Warning
         

         GHS Hazard Statements
         Aggregated GHS information from 14 notifications provided by 293 companies to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
         H315 (16.38%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (12.97%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (74.4%): Toxic to aquatic life with long-lasting effects [Hazardous to the aquatic environment, long-term hazard] H413 (19.45%): May cause long-lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parentheses indicates the notified classification ratio from all companies. Only Hazard Codes with percentage values above 10% are shown.

          

         Precautionary Statement Codes
         P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501
         (The corresponding statement to each P-code can be found here.)

         from European Chemicals Agency – ECHA

9. Patents

   1. Depositor-Supplied Patent Identifiers

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      1 to 5 of 25

      123…5

      Submitted DateGranted Date

      Patent ID	Patent Title	Submitted Date	Granted Date
      EP0542572	Negative-type radiation-sensitive resin composition.	1993-05-19
      EP0905196	Hydrosilylation reaction curable organosiloxane compositions	1999-03-31	2004-04-14
      US6251327	Hydrosilylation reaction curable organosiloxane compositions		2001-06-26
      US2006222601	Oral care compositions with a color-changing indicator	2006-10-05
      US2006222675	Personal care compositions with a color-changing indicator	2006-10-05

      from PubChem

10. Classification

    1. Ontologies

       1. WIPO IPC

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          123…6

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          C04B24/28 – obtained otherwise than by reactions only involving carbon-to-carbon unsatura…

          C08J5/04 – Reinforcing macromolecular compounds with loose or coherent fibrous material

          C08K3/22 – of metals

          C08K3/26 – Carbonates; Bicarbonates

          C08K3/34 – Silicon-containing compounds

          C08K3/36 – Silica

          C08K5/00 – Use of organic ingredients

          C08K5/09 – Carboxylic acids; Metal salts thereof; Anhydrides thereof

          C08K5/101 – of monocarboxylic acids

          C08K5/13 – Phenols; Phenolates

          from WIPO

       2. ChemIDplus

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          1 to 10 of 21

          123

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          CCRIS

          DrugPortal

          ECHA

          EINECS

          EPA ACToR

          EPA CompTox

          EPA Envirofacts

          EPA SRS

          DSL

          HPV

          from ChemIDplus

11. Information Sources

    1. ChemIDplus
       Phenol, styrenated

       https://chem.nlm.nih.gov/chemidplus/sid/0061788441

       2,4-Divinylphenol

       https://chem.nlm.nih.gov/chemidplus/sid/0061345720

       ChemIDplus Chemical Information Classification

       #

    2. EPA Chemicals under the TSCA
       Phenol, styrenated

       https://www.epa.gov/chemical-data-reporting

    3. European Chemicals Agency – ECHA
       Phenol, styrenated

       https://echa.europa.eu/

       Phenol, styrenated

       https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/96768

    4. FDA/SPL Indexing Data
       7X7JE9XCSI

       https://www.fda.gov/ForIndustry/DataStandards/SubstanceRegistrationSystem-UniqueIngredientIdentifierUNII/

    5. PubChem
       Data deposited in or computed by PubChem

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

    6. WIPO
       International Patent Classification

       https://www.wipo.int/classifications/ipc/