2',4'-Dimethoxyacetophenone - ≥96%(GC) , CAS No.829-20-9

CAS: 829-20-9 Cat. No.: D154238 分子式: C₁₀H₁₂O₃ 分子量: 180.2 Beilstein Registry Number: 511947 EC番号: 212-587-2

GRADE & PURITY ≥96%(GC)

Synonyms

2',4'-Dimethoxyacetophenone | 2',4'-dimethoxy-acetophenone | 2,4-Dimethoxyacetophenone | 4-ACETYL-1,3-DIMETHOXYBENZENE | UNII-5ASM4Y5MBX | 2',4'-Dimethoxyacetophenone, 97% | F0001-2122 | 2`,4`-Dimethoxyacetophenone | CCG-214744 | 2',4'-Dihydroxyacetopheno

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

同義語

2',4'-Dimethoxyacetophenone | 2',4'-dimethoxy-acetophenone | 2,4-Dimethoxyacetophenone | 4-ACETYL-1,3-DIMETHOXYBENZENE | UNII-5ASM4Y5MBX | 2',4'-Dimethoxyacetophenone, 97% | F0001-2122 | 2`,4`-Dimethoxyacetophenone | CCG-214744 | 2',4'-Dihydroxyacetopheno

仕様と純度

≥96%(GC)

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥96%(GC)

名前と識別子

• パブケム・シド: 488184455
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184455
• カノニカル・スマイル: CC(=O)C1=C(C=C(C=C1)OC)OC
• IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone
• InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
• 異性体SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC
• WGKドイツ: 3
• 分子量: 180.2
• Beilstein: 511947
• Reaxy-Rn: 511947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

関連ターゲット（人間）

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 297 °C
• 融点（°C）: 40 °C
• 分子量: 180.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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

参考文献

1. Bin Pu, Gaolang Xiao, Juying Xiao, Hua-Bing Yin, Jin Wang.  (2024)  A strategy for improving self-healing efficiency: Application of sensitizer in thymine photoresponsive materials.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126844]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 829-20-9, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey VQTDPCRSXHFMOL-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.