4'-Ethoxyacetophenone - ≥98% , CAS No.1676-63-7

CAS: 1676-63-7 Cat. No.: E103881 Formula: C₁₀H₁₂O₂ Molecular Weight: 164.2 Beilstein Registry Number: 8(4)341 EC Number: 216-825-6

GRADE & PURITY ≥98%

Synonyms

4'-Ethoxy acetophenone | EWR02SWC14 | F0001-0614 | InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H | STL163384 | E0458 | FT-0618378 | EINECS 216-825-6 | 4'-Ethoxyacetophenone, 98% | FS-1543 | EN300-16105 | 4-Ethoxyphenylethanone | 4-FLUORO-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4'-Ethoxy acetophenone | EWR02SWC14 | F0001-0614 | InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H | STL163384 | E0458 | FT-0618378 | EINECS 216-825-6 | 4'-Ethoxyacetophenone, 98% | FS-1543 | EN300-16105 | 4-Ethoxyphenylethanone | 4-FLUORO-

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754673
• Canonical Smiles: CCOC1=CC=C(C=C1)C(=O)C
• IUPAC Name: 1-(4-ethoxyphenyl)ethanone
• InChIKey: YJFNFQHMQJCPRG-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
• Isomeric SMILES: CCOC1=CC=C(C=C1)C(=O)C
• WGK Germany: 3
• Molecular Weight: 164.2
• Beilstein: 8(4)341
• Reaxy-Rn: 636783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636783&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• x_flash_point_drop_fahrenheit: 113 °C
• x_flash_point_drop_centigrade: 113°C
• x_boil_point_char: 268-269°C
• x_melt_point_char: 37-39°C
• Molecular Weight: 164.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1676-63-7, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey YJFNFQHMQJCPRG-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.