1,4-Diethoxybenzene - ≥98%(GC) , CAS No.122-95-2

CAS: 122-95-2 Cat. No.: D155736 Formule: C₁₀H₁₄O₂ Poids moléculaire: 166.22

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

Benzene,4-diethoxy-|DIETHOXYBENZENE, P-|1,4-diethoxy-benzene|p-Diethoxybenzene|Benzene, p-diethoxy-|Benzene, 1,4-diethoxy-|1,4-Diethoxybenzene|1,4-DIETHYLOXYBENZENE|Hydroquinone diethyl ether

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Benzene,4-diethoxy- | DIETHOXYBENZENE, P- | 1,4-diethoxy-benzene | p-Diethoxybenzene | Benzene, p-diethoxy- | Benzene, 1,4-diethoxy- | 1,4-Diethoxybenzene | 1,4-DIETHYLOXYBENZENE | Hydroquinone diethyl ether

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488183901

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183901

Sourires canoniques

CCOC1=CC=C(C=C1)OCC

IUPAC Name

1,4-diethoxybenzene

InChIKey

VWGNFIQXBYRDCH-UHFFFAOYSA-N

INCHI

1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3

Isomères SMILES

CCOC1=CC=C(C=C1)OCC

Poids moléculaire

166.22

Reaxy-Rn

2044373

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044373&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
• Description: 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

Cibles associées (humaines)

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 112 °C/6 mmHg
• Point de fusion (°C): 70 °C
• Poids moléculaire: 166.220 g/mol
• XLogP3: 2.500
• 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: 92.400
• 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

Foire aux questions

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 122-95-2, the molecular formula is C10H14O2, and the molecular weight is 166.22 g/mol. InChIKey VWGNFIQXBYRDCH-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.