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2'-Hydroxy-4'-methylacetophenone - 10mM in DMSO, high purity , CAS No.6921-64-8
Basic Description
Synonyms
6921-64-8 | 2'-Hydroxy-4'-methylacetophenone | 1-(2-hydroxy-4-methylphenyl)ethanone | 1-(2-Hydroxy-4-methylphenyl)ethan-1-one | Ethanone, 1-(2-hydroxy-4-methylphenyl)- | 2-hydroxy-4-methylacetophenone | 4-methyl-2-hydroxyacetophenone | 1-(2-Hydroxy-4-methyl-phenyl)-eth
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
2′-Hydroxy-4′-methylacetophenone may be used in the preparation of 4′-methyl-2′-[(p-tolylsulfonyl)oxy]acetophenone. 2′-Hydroxy-4′-methylacetophenone, also known as 1-(2-hydroxy-4-methylphenyl)ethanone can be synthesized by the Fries rearrangement of m-tolyl acetate in the presence of zirconium tetrachloride.[1] The results from the toxicity studies on mite species suggest that 2′-hydroxy-4′-methylacetophenone possesses acaricidal property.
Taxonomic Classification
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 Meta cresols Benzoyl derivatives Aryl alkyl ketones Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - M-cresol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(2-hydroxy-4-methylphenyl)ethanone
INCHI
InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
InChIKey
LYKDOWJROLHYOT-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)C(=O)C)O
Isomeric SMILES
CC1=CC(=C(C=C1)C(=O)C)O
WGK Germany
3
Molecular Weight
150.18
Reaxy-Rn
1636084
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636084&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.565
Flash Point(°F)
230 °F
Flash Point(°C)
110 °C
Boil Point(°C)
245°C
Molecular Weight
150.170 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
150.068 Da
Monoisotopic Mass
150.068 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
154.000
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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