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

CAS: 122-95-2 Cat. No.: D155736 Formula: C₁₀H₁₄O₂ Molecular Weight: 166.22

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488183901

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC

Molecular Weight

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
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 112 °C/6 mmHg
• Melt Point(°C): 70 °C
• Molecular Weight: 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

Frequently Asked 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.