1-Ethyl-3-methoxybenzene - ≥95% , CAS No.10568-38-4

CAS: 10568-38-4 Cat. No.: E1366404 EC番号: 857-769-8 PubChem CID: 66353

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCC1=CC(=CC=C1)OC
• IUPAC Name: 1-ethyl-3-methoxybenzene
• InChIKey: DWLZULQNIPIABE-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3
• 異性体SMILES: CCC1=CC(=CC=C1)OC
• 代替CAS番号: 10568-38-4
• PubChem CID: 66353
• NSC番号: 96976

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

化学的性質と物理的性質

• 分子量: 136.190 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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. Shutao Zhang, Jiamin Fu, Guantai Hu, Suzhe Liang, Yu Zheng, Chao Wang, Shengjie Xia, Pushun Lu, Jiaxu Zhang, Mingying Zhang, Mingfeng Wei, Jian Hong, Ziqing Wang, Zhimin Zhou, Jian Peng, Liwei Chen, Xueliang Sun, Changhong Wang.  (2026)  Dual-Solvent Supramolecular Assembly Enables Ampere-Hour Halide All-Solid-State Pouch Cell.  ADVANCED MATERIALS,      [PMID:42494213] [10.1002/adma.74206]

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 10568-38-4. InChIKey DWLZULQNIPIABE-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.