2'-Hydroxy-4'-methoxypropiophenone - ≥98% , CAS No.6270-44-6

CAS: 6270-44-6 Cat. No.: H156891 Formule: C₁₀H₁₂O₃ Poids moléculaire: 180.2 Beilstein Registry Number: 8(4)1837 Numéro CE: 621-243-4

QUALITÉ & PURETÉ ≥98%

Synonyms

2'-HYDROXY-4'-METHOXYPROPIOPHENONE 97|2-HYDROXY-4-METHOXYPROPIOPHENONE 97|1-(2-hydroxy-4-methoxyphenyl)propan-1-one|2'-Hydroxy-4'-methoxypropiophenone|1-(2-hydroxy-4-methoxyphenyl)-1-propanone

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

2'-HYDROXY-4'-METHOXYPROPIOPHENONE 97 | 2-HYDROXY-4-METHOXYPROPIOPHENONE 97 | 1-(2-hydroxy-4-methoxyphenyl)propan-1-one | 2'-Hydroxy-4'-methoxypropiophenone | 1-(2-hydroxy-4-methoxyphenyl)-1-propanone

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504758015

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758015

Sourires canoniques

CCC(=O)C1=C(C=C(C=C1)OC)O

IUPAC Name

1-(2-hydroxy-4-methoxyphenyl)propan-1-one

InChIKey

MAKZPFSTXDXNJN-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-3-9(11)8-5-4-7(13-2)6-10(8)12/h4-6,12H,3H2,1-2H3

Isomères SMILES

CCC(=O)C1=C(C=C(C=C1)OC)O

WGK Allemagne

3

Poids moléculaire

180.2

Beilstein

8(4)1837

Reaxy-Rn

1944128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Methoxyphenols Phenylpropanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 56-60°C
• Poids moléculaire: 180.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 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 6270-44-6, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey MAKZPFSTXDXNJN-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.