4-Methoxyacetophenone - ≥99%, used for 4′-Methoxyacetophenone was used to study ruthenium catalyzed step growth copolymerization of 4′-methoxyacetophenone with α,ω-dienes to yield copolymers. It was used to determine the activity of various ketones approv

CAS: 100-06-1 Cat. No.: M103875 Formula: C₉H₁₀O₂ Molecular Weight: 150.17 Beilstein Registry Number: 742313 EC Number: 202-815-9

GRADE & PURITY ≥99%

Synonyms

1-(4-methoxyphenyl)ethan-1-one | 4'-Methoxyacetophenone | P-ACETYLANISOLE | 1-(4-Methoxyphenyl)ethanone | Linarodin | Acetanisole | p-Methoxyacetophenone | Vananote | 4-Acetylanisole | 4-Acetoanisole | Novatone

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

4′-Methoxyacetophenone undergoes biocatalytic enantioselective reduction using immobilized Rhodotorula sp. AS2.2241 cells to yield (S)-1-(4-methoxyphenyl) ethanol in a hydrophilic ionic liquid-containing co-solvent system.

Specifications

Synonyms

1-(4-methoxyphenyl)ethan-1-one | 4'-Methoxyacetophenone | P-ACETYLANISOLE | 1-(4-Methoxyphenyl)ethanone | Linarodin | Acetanisole | p-Methoxyacetophenone | Vananote | 4-Acetylanisole | 4-Acetoanisole | Novatone

Specifications & Purity

≥99%

Application

4′-Methoxyacetophenone was used to study ruthenium catalyzed step growth copolymerization of 4′-methoxyacetophenone with α,ω-dienes to yield copolymers. It was used to determine the activity of various ketones approved as food additives against Clostridiu

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

≥99%

Names and Identifiers

Pubchem Sid

504751356

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751356

Canonical Smiles

CC(=O)C1=CC=C(C=C1)OC

IUPAC Name

1-(4-methoxyphenyl)ethanone

InChIKey

NTPLXRHDUXRPNE-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC

WGK Germany

2

RTECS

AM9240000

Molecular Weight

150.17

Beilstein

742313

Reaxy-Rn

742313

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742313&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 Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Anisole - 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: monomethoxybenzene - acetophenones

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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Associated Targets(non-human)

Spinacia oleracea (250 Activities)

Explore this target

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

Lactuca sativa (1092 Activities)

Explore this target

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

Phaseolus vulgaris (518 Activities)

Explore this target

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

Akr1c9 3-alpha-hydroxysteroid dehydrogenase (27 Activities)

Discover Target: Akr1c9

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

Trifolium pratense (73 Activities)

Explore this target

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

Physalis ixocarpa (96 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: heat & Light sensitive.
• Flash Point(°F): 280.4 °F
• Flash Point(°C): 138 °C
• Boil Point(°C): 152-154°C
• Melt Point(°C): 36-38°C
• Molecular Weight: 150.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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