4’-(Benzyloxy)propiophenone - ≥98% , CAS No.4495-66-3

CAS: 4495-66-3 Cat. No.: B133711 Formula: C₁₆H₁₆O₂ Molecular Weight: 240.3 Beilstein Registry Number: 2271608 EC Number: 224-788-2

GRADE & PURITY ≥98%

Synonyms

1-(4-benzyloxyphenyl)propan-1-one | 1-(4-benzyloxyphenyl)propane-1-one | 4'-(benzyloxy)propiophenone | 4'-(benzyloxy)-Propiophenone | EINECS 224-788-2 | 1-(4-Benzyloxy)phenyl)propan-1-one | I11696 | 4-benzyloxy propiophenone | 2,5-Dimethoxybenzoicacid | M

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(4-benzyloxyphenyl)propan-1-one | 1-(4-benzyloxyphenyl)propane-1-one | 4'-(benzyloxy)propiophenone | 4'-(benzyloxy)-Propiophenone | EINECS 224-788-2 | 1-(4-Benzyloxy)phenyl)propan-1-one | I11696 | 4-benzyloxy propiophenone | 2,5-Dimethoxybenzoicacid | M

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488185544

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185544

Canonical Smiles

CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

IUPAC Name

1-(4-phenylmethoxyphenyl)propan-1-one

InChIKey

IKFGSOJYHVTNDV-UHFFFAOYSA-N

INCHI

1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Molecular Weight

240.3

Beilstein

2271608

Reaxy-Rn

2271608

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2271608&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: Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - 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

• Molecular Weight: 240.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115 Da
• Monoisotopic Mass: 240.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 248.000
• 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 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 4495-66-3, the molecular formula is C16H16O2, and the molecular weight is 240.3 g/mol. InChIKey IKFGSOJYHVTNDV-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.