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

CAS: 1676-63-7 Cat. No.: E103881 Formule: C₁₀H₁₂O₂ Poids moléculaire: 164.2 Beilstein Registry Number: 8(4)341 Numéro CE: 216-825-6

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504754673

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754673

Sourires canoniques

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

Isomères SMILES

CCOC1=CC=C(C=C1)C(=O)C

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Point d'éclair (°F): 113 °C
• Point d'éclair (°C): 113°C
• Point d'ébullition (°C): 268-269°C
• Point de fusion (°C): 37-39°C
• Poids moléculaire: 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

Foire aux 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.