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4'-Benzyloxyacetophenone - >98.0%, high purity , CAS No.54696-05-8

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4'-Benzyloxyacetophenone - >98.0%, high purity , CAS No.54696-05-8

COA

Grade & Purity:

≥98%

Cas Number: 54696-05-8
Molecular Weight: 226.28
Beilstein Registry Number: 8(4)345
MDL number: MFCD00017247
PubChem CID: 245226
PubChem SID: 488188972

In stock

Item Number

B152284

Grouped product items
SKU	Size	Availability	Price
B152284-1g	1g	≥10	$12.90
B152284-5g	5g	≥10	$48.90
B152284-25g	25g	10	$218.90
B152284-100g	100g	10	$784.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	B3365 \| STK728880 \| AM81188 \| STR06633 \| 2-PHENYL-QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE \| NSC226144 \| SCHEMBL42302 \| 4 inverted exclamation mark -Benzyloxyacetophenone \| AB01319170-02 \| 1-[4-(benzyloxy) phenyl]ethanone \| NSC 10752 \| 1-[4-(Benzyloxy)phenyl]e
Specifications & Purity	≥98%
Shipped In	Normal

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
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)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188972
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188972
IUPAC Name	1-(4-phenylmethoxyphenyl)ethanone
INCHI	InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey	MKYMYZJJFMPDOA-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
Molecular Weight	226.28
Beilstein	8(4)345
Reaxy-Rn	1912124
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912124&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
H1714042	Certificate of Analysis	Mar 04, 2025	B152284
E2309868	Certificate of Analysis	Feb 10, 2023	B152284
E2309874	Certificate of Analysis	Feb 10, 2023	B152284
E2309873	Certificate of Analysis	Feb 10, 2023	B152284
E2309875	Certificate of Analysis	Feb 10, 2023	B152284
E2309863	Certificate of Analysis	Feb 10, 2023	B152284
E2309866	Certificate of Analysis	Feb 10, 2023	B152284
C1827119	Certificate of Analysis	Jan 20, 2022	B152284
C1827118	Certificate of Analysis	Jan 20, 2022	B152284

Chemical and Physical Properties

Melt Point(°C)	91-92°C
Molecular Weight	226.270 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	226.099 Da
Monoisotopic Mass	226.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	235.000
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

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