Phenoxyacetone - ≥97%(GC) , CAS No.621-87-4

CAS: 621-87-4 Cat. No.: P160134 Formule: C₉H₁₀O₂ Poids moléculaire: 150.18 Beilstein Registry Number: 6151 Numéro CE: 210-712-5 PubChem CID: 69313

GRADE & PURITY ≥97%(GC)

Synonyms

1-Phenoxy-2-propanone | NSC 1876 | UNII-ZKT38MGG38 | 1-(phenoxy)propan-2-one | 1-Phenoxyacetone | FT-0754073 | SY049061 | A856506 | MFCD00008767 | Phenoxy-2-propanone | Phenoxy-2-propanone, 97% | EINECS 210-712-5 | 2-Propanone, 1-phenoxy- | Q63399121 | Ph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-Phenoxy-2-propanone | NSC 1876 | UNII-ZKT38MGG38 | 1-(phenoxy)propan-2-one | 1-Phenoxyacetone | FT-0754073 | SY049061 | A856506 | MFCD00008767 | Phenoxy-2-propanone | Phenoxy-2-propanone, 97% | EINECS 210-712-5 | 2-Propanone, 1-phenoxy- | Q63399121 | Ph

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 488184286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184286
• Sourires canoniques: CC(=O)COC1=CC=CC=C1
• IUPAC Name: 1-phenoxypropan-2-one
• InChIKey: QWAVNXZAQASOML-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
• Isomères SMILES: CC(=O)COC1=CC=CC=C1
• WGK Allemagne: 3
• RTECS: UC3387525
• PubChem CID: 69313
• Poids moléculaire: 150.18
• Beilstein: 6151
• Reaxy-Rn: 1862985

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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 Ether,Acetone
• Indice de réfraction: 1.52
• Point d'éclair (°F): 185 °F
• Point d'éclair (°C): 85°C(lit.)
• Point d'ébullition (°C): 230°C
• Poids moléculaire: 150.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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 ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 621-87-4, the molecular formula is C9H10O2, and the molecular weight is 150.18 g/mol. InChIKey QWAVNXZAQASOML-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.