4-idrossifenilacetone - ≥97,0% (GC) , CAS No.770-39-8

CAS: 770-39-8 Cat. No.: H156892 Formula: C₉H₁₀O₂ Peso molecolare: 150.18 Beilstein Registry Number: 8(4)460 Numero EC: 616-432-3

GRADE & PURITY ≥97%(GC)

Synonyms

4-idrossibenzil metil chetone | 4-idrossifenil acetone | 4-cianofenil-4-trans-n-propilcicloesilbenzoato | 4-idrossifenilpropanone | 1-(4-idrossifenil)acetone | 1-(4-idrossifenil)-2-propanone

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Specifications

Sinonimi

4-idrossibenzil metil chetone | 4-idrossifenil acetone | 4-cianofenil-4-trans-n-propilcicloesilbenzoato | 4-idrossifenilpropanone | 1-(4-idrossifenil)acetone | 1-(4-idrossifenil)-2-propanone

Specifiche e purezza

≥97,0% (GC)

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 508809743
• Sorrisi canonici: CC(=O)CC1=CC=C(C=C1)O
• IUPAC Name: 1-(4-hydroxyphenyl)propan-2-one
• InChIKey: VWMVAQHMFFZQGD-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
• Isomeri SMILES: CC(=O)CC1=CC=C(C=C1)O
• Peso molecolare: 150.18
• Beilstein: 8(4)460
• Reaxy-Rn: 2356739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2356739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di ebollizione (°C): 177 °C/11 mmHg
• Punto di fusione (°C): 40 °C
• Peso molecolare: 150.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 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