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

CAS: 2050-46-6 Cat. No.: D155734 分子式: C₁₀H₁₄O₂ 分子量: 166.22 EC番号: 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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504754886

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754886

カノニカル・スマイル

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

異性体SMILES

CCOC1=CC=CC=C1OCC

RTECS

CZ5580000

分子量

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
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 220 °C
• 融点（°C）: 44 °C
• 分子量: 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

よくある質問

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.