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4,6-Dioxo-6-phenylhexanoic acid, a diketone derivative of adipic acid, is a chemical compound characterized by its molecular formula C12H10O4. It features two adjacent carbonyl groups and exists as a white crystalline solid. 4,6-Dioxo-6-phenylhexanoic acid is sparingly soluble in water but soluble in organic solvents, and it possesses unique structural and property attributes that make it a promising candidate for various applications in the fields of pharmaceuticals, agrochemicals, and materials science.

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  • 114150-57-1 Structure
  • Basic information

    1. Product Name: 4,6-Dioxo-6-phenylhexanoic acid
    2. Synonyms: 4,6-Dioxo-6-phenylhexanoic acid
    3. CAS NO:114150-57-1
    4. Molecular Formula: C12H12O4
    5. Molecular Weight: 220.223
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114150-57-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4,6-Dioxo-6-phenylhexanoic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4,6-Dioxo-6-phenylhexanoic acid(114150-57-1)
    11. EPA Substance Registry System: 4,6-Dioxo-6-phenylhexanoic acid(114150-57-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114150-57-1(Hazardous Substances Data)

114150-57-1 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
4,6-Dioxo-6-phenylhexanoic acid is utilized as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides. Its unique structure allows for versatile chemical modifications, facilitating the creation of novel compounds with potential therapeutic or pesticidal properties.
Used in Organic Synthesis:
As an intermediate in organic synthesis, 4,6-Dioxo-6-phenylhexanoic acid plays a crucial role in the preparation of various organic compounds. Its reactivity and functional groups enable it to participate in a wide range of chemical reactions, leading to the formation of diverse molecules with potential applications in different industries.
Used in Polymer and Coating Production:
4,6-Dioxo-6-phenylhexanoic acid is employed in the production of polymers and coatings, where its chemical properties contribute to the development of materials with specific characteristics. Its incorporation into polymers can enhance properties such as strength, flexibility, and durability, while its use in coatings can improve adhesion, corrosion resistance, and other desirable attributes.
Used in Medicinal Chemistry and Drug Development:
Due to its unique structure and properties, 4,6-Dioxo-6-phenylhexanoic acid may have potential applications in the field of medicinal chemistry and drug development. Its ability to form stable derivatives and participate in various chemical reactions makes it a valuable building block for the design and synthesis of new pharmaceutical agents with improved efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 114150-57-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,1,5 and 0 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 114150-57:
(8*1)+(7*1)+(6*4)+(5*1)+(4*5)+(3*0)+(2*5)+(1*7)=81
81 % 10 = 1
So 114150-57-1 is a valid CAS Registry Number.

114150-57-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,6-Dioxo-6-phenylhexanoic acid

1.2 Other means of identification

Product number -
Other names 4,6-dioxo-6-phenyl-hexanoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114150-57-1 SDS

114150-57-1Relevant articles and documents

Synthesis of 1,5-diarylpyrazol-3-propanoic acids towards inhibition of cyclooxygenase-1/2 activity and 5-lipoxygenase-mediated LTB4 formation

Erguen, Burcu Caliskan,Nunez, Maria Teresa,Labeaga, Luis,Ledo, Francisco,Darlington, Janice,Bain, Gretchen,Cakir, Bilge,Banoglu, Erden

scheme or table, p. 497 - 505 (2011/05/09)

A set of 25 derivatives of 3-[1-(6-substituted-pyridazin-3-yl)-5-(4- substitutedphenyl)-1H-pyrazol-3-yl]propanoic acids has been synthesized and evaluated for their in vitro cyclooxygenase-1/2 (COX-1/ 2) inhibitory activity using assays with purified COX-1 and COX-2 enzymes as well as for their 5-lipoxygenase (5-LO)-mediated LTB4 formation inhibitory activity using an assay with activated human polymorphonuclear leukocytes (PMNL). Among the synthesized compounds, especially 4g showed COX-1 (IC50 = 1.5 μM) and COX-2 (IC50 = 1.6 μM) inhibitory activity, whereas compounds 4b and 4 f resulted in the inhibition of 5-LO-mediated LTB4 formation at 14 μM and 12 μM IC50 values, respectively, without any significant inhibition on COX isoforms. ECV · Editio Cantor Verlag.

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