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

CAS: 93-53-8 Cat. No.: P160754 Summenformel: C₉H₁₀O Molekulargewicht: 134.18 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 504751257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751257
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C=O)C1=CC=CC=C1
• WGK Deutschland: 3
• RTECS: CY1460000
• PubChem CID: 7146
• Molekulargewicht: 134.18

Taxonomic Classification

Taxonomy Tree

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

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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in most fixed oils, propylene glycol. Insoluble in glycerin.
• Empfindlichkeit: Moisture & Air & Heat sensitive
• Brechungsindex: 1.517
• Flammpunkt (°F): 168.8 °F
• Flammpunkt (°C): 78°C
• Siedepunkt (°C): 92-94 °C
• Molekulargewicht: 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

Referenzen

1. Hongchao Li, Zihao Zhao, Jieshu Qian, Bingcai Pan.  (2021)  Are Free Radicals the Primary Reactive Species in Co(II)-Mediated Activation of Peroxymonosulfate? New Evidence for the Role of the Co(II)–Peroxymonosulfate Complex.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:33882668] [10.1021/acs.est.1c02015]

2. Dawei Li, Xinyue Zhang, Yibing Sun, Yuanqing Bu, Hongchao Li, Jieshu Qian.  (2024)  Investigating the evolution of reactive species in the CuO-mediated peroxymonosulfate activation process.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38198860] [10.1016/j.jhazmat.2024.133425]

3. Yibing Sun, Hongchao Li, Shengli Zhang, Ming Hua, Jieshu Qian, Bingcai Pan.  (2022)  Revisiting the Heterogeneous Peroxymonosulfate Activation by MoS2: a Surface Mo–Peroxymonosulfate Complex as the Major Reactive Species.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.1c00459]

4. Hong Pan, Qi Luo, Qiuyi Jing, Lin Chen, Ni Li, Chao Fang, Fuguo Shi.  (2025)  Multiple endogenous aldehydes amplify acetaminophen-induced liver injury.  CHEMICO-BIOLOGICAL INTERACTIONS,      [PMID:40562332] [10.1016/j.cbi.2025.111619]

Häufig gestellte Fragen

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.