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

CAS: 770-39-8 Cat. No.: H156892 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 Beilstein Registry Number: 8(4)460 EG-Nummer: 616-432-3

GRADE & PURITY ≥97%(GC)

Synonyms

4-Hydroxybenzyl methyl ketone | 4-hydroxyphenyl acetone | 4-Cyanophenyl-4-trans-n-propylcyclohexylbenzoate | 4-hydroxyphenylpropanone | 1-(4-hydroxyphenyl)acetone | 1-(4-Hydroxyphenyl)-2-propanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

4-Hydroxybenzyl methyl ketone | 4-hydroxyphenyl acetone | 4-Cyanophenyl-4-trans-n-propylcyclohexylbenzoate | 4-hydroxyphenylpropanone | 1-(4-hydroxyphenyl)acetone | 1-(4-Hydroxyphenyl)-2-propanone

Spezifikationen & Reinheit

≥97%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 508809743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809743
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(=O)CC1=CC=C(C=C1)O
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Siedepunkt (°C): 177 °C/11 mmHg
• Schmelzpunkt (°C): 40 °C
• Molekulargewicht: 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