2-Phenylpropionaldehyde - ≥95%(GC) , CAS No.93-53-8

CAS: 93-53-8 Cat. No.: P160754 Fórmula: C₉H₁₀O Peso molecular: 134.18 Número EC: 202-255-5 PubChem CID: 7146

GRADE & PURITY ≥95%(GC)

Synonyms

Hydratropaldehyde, 8CI | Hydrotropic aldehyde | alpha-Formylethylbenzene | alpha-Methyl-Benzeneacetalaldehyde | FEMA 2886 | a-Methylbenzeneacetaldehyde, 9CI | Benzeneacetaldehyde, alpha -methyl- | NSC5231 | NSC-5231 | 2-Phenylpropanal | A844627 | Cumene a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2-Phenylpropionaldehyde (hydratropaldehyde) was used as a substrate to study the deformylation activity of reconstituted myoglobin, rMB(1)

Specifications

Sinónimos

Hydratropaldehyde, 8CI | Hydrotropic aldehyde | alpha-Formylethylbenzene | alpha-Methyl-Benzeneacetalaldehyde | FEMA 2886 | a-Methylbenzeneacetaldehyde, 9CI | Benzeneacetaldehyde, alpha -methyl- | NSC5231 | NSC-5231 | 2-Phenylpropanal | A844627 | Cumene a

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504751257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751257
• Sonrisas canónicas: CC(C=O)C1=CC=CC=C1
• IUPAC Name: 2-phenylpropanal
• InChIKey: IQVAERDLDAZARL-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
• Isómeros SMILES: CC(C=O)C1=CC=CC=C1
• WGK Alemania: 3
• RTECS: CY1460000
• PubChem CID: 7146
• Peso molecular: 134.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• 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

Objetivos asociados (humanos)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in most fixed oils, propylene glycol. Insoluble in glycerin.
• Sensibilidad: Moisture & Air & Heat sensitive
• Índice de refracción: 1.517
• Punto de inflamación (°F): 168.8 °F
• Punto de inflamación (°C): 78°C
• Punto de ebullición (°C): 92-94 °C
• Peso molecular: 134.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 93-53-8, the molecular formula is C9H10O, and the molecular weight is 134.18 g/mol. InChIKey IQVAERDLDAZARL-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.