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4′-Methoxypropiophenone - 99%, high purity , CAS No.121-97-1
Basic Description
Synonyms
InChI=1/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H | 1-(4-methoxvphenyl)-1-propanone | BB 0267971 | EINECS 204-512-7 | 1-PROPANOYL-4-METHOXYBENZENE | M1719 | para-methoxypropiophenone | PROPIOPHENONE, P-METHOXY- | 4'-Methoxypropiophenone, >=99%
Specifications & Purity
≥99%
Shipped In
Normal
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
Phenylpropanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - 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
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(non-human)
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
504754125
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754125
IUPAC Name
1-(4-methoxyphenyl)propan-1-one
INCHI
InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey
ZJVAWPKTWVFKHG-UHFFFAOYSA-N
Smiles
CCC(=O)C1=CC=C(C=C1)OC
Isomeric SMILES
CCC(=O)C1=CC=C(C=C1)OC
WGK Germany
3
UN Number
1325
Molecular Weight
164.2
Beilstein
8(4)442
Reaxy-Rn
907733
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907733&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Freezing Point(°C)
23 °C
Refractive Index
1.5465
Flash Point(°F)
141.8 °F
Flash Point(°C)
62°C
Boil Point(°C)
273-275°C
Melt Point(°C)
27-29°C
Molecular Weight
164.200 g/mol
XLogP3
2.400
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
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