2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone - ≥98%(HPLC) , CAS No.106797-53-9

CAS: 106797-53-9 Cat. No.: H137984 Formule: HOCH₂CH₂OC₆H₄COC(CH₃)₂OH Poids moléculaire: 224.25 Numéro CE: 402-670-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

NaSCN | SCHEMBL36443 | 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one | Darocur 2595 | 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methyl-1-propanone | SY052526 | 1-(4-(2-hydroxyethoxy)phenyl)-2-hydroxy-2-methylpropan-1-one | 2-hydroxy-1-[4-(2

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

NaSCN | SCHEMBL36443 | 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one | Darocur 2595 | 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methyl-1-propanone | SY052526 | 1-(4-(2-hydroxyethoxy)phenyl)-2-hydroxy-2-methylpropan-1-one | 2-hydroxy-1-[4-(2

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488186357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186357
• Sourires canoniques: CC(C)(C(=O)C1=CC=C(C=C1)OCCO)O
• IUPAC Name: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
• InChIKey: GJKGAPPUXSSCFI-UHFFFAOYSA-N
• INCHI: 1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
• Isomères SMILES: CC(C)(C(=O)C1=CC=C(C=C1)OCCO)O
• RTECS: UC2976000
• Poids moléculaire: 224.25
• Reaxy-Rn: 5936267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5936267&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: Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Acyloins Tertiary alcohols Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Alkyl aryl ether - Acyloin - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Ether - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol
• Sensibilité: light sensitive
• Point de fusion (°C): 88-90°C
• Poids moléculaire: 224.250 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.105 Da
• Monoisotopic Mass: 224.105 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 229.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 106797-53-9, the molecular formula is HOCH2CH2OC6H4COC(CH3)2OH, and the molecular weight is 224.25 g/mol. InChIKey GJKGAPPUXSSCFI-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.