1,2-Diethoxybenzene - ≥98%(GC) , CAS No.2050-46-6

CAS: 2050-46-6 Cat. No.: D155734 Fórmula: C₁₀H₁₄O₂ Peso molecular: 166.22 Número CE: 218-089-1

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H | o-Diethoxybenzene | AC7914 | BRN 2046149 | EINECS 218-089-1 | Benzene, 1,2-diethoxy- | DTXSID6038798 | DTXCID4018798 | A814613 | AI3-24177 | Methyl 3-indolepropionate | 1,2-DIETHOXYBENZENE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H | o-Diethoxybenzene | AC7914 | BRN 2046149 | EINECS 218-089-1 | Benzene, 1,2-diethoxy- | DTXSID6038798 | DTXCID4018798 | A814613 | AI3-24177 | Methyl 3-indolepropionate | 1,2-DIETHOXYBENZENE

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504754886
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754886
• Sorrisos canónicos: CCOC1=CC=CC=C1OCC
• IUPAC Name: 1,2-diethoxybenzene
• InChIKey: QZYDOKBVZJLQCK-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
• SMILES isoméricas: CCOC1=CC=CC=C1OCC
• RTECS: CZ5580000
• Peso molecular: 166.22
• Reaxy-Rn: 2046149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): 220 °C
• Ponto de fusão (°C): 44 °C
• Peso molecular: 166.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 100.000
• 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

Perguntas frequentes

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

This product is supplied at ≥98% 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.

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 2050-46-6, the molecular formula is C10H14O2, and the molecular weight is 166.22 g/mol. InChIKey QZYDOKBVZJLQCK-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.