Α-Methyl-Trans-Cinnamaldehyde - ≥97% , CAS No.15174-47-7

CAS: 15174-47-7 Cat. No.: M302967 Formula: C₁₀H₁₀O Peso molecolare: 146.19 Numero EC: 701-219-0

GRADE & PURITY ≥97%

Synonyms

2-methyl-propane-1-thiol | Z3219847417 | alpha-Methyl-trans-cinnamaldehyde | DTXSID401018359 | TETRAIODOETHYLENE [MI] | (2E)-2-Methyl-3-phenyl-2-propenal | 2-METHYL-3-PHENYLPROPENAL | 2-Methyl-3-phenyl-2-propenal | Cinnamaldehyde, .alpha.-methyl- | NCGC00

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

2-methyl-propane-1-thiol | Z3219847417 | alpha-Methyl-trans-cinnamaldehyde | DTXSID401018359 | TETRAIODOETHYLENE [MI] | (2E)-2-Methyl-3-phenyl-2-propenal | 2-METHYL-3-PHENYLPROPENAL | 2-Methyl-3-phenyl-2-propenal | Cinnamaldehyde, .alpha.-methyl- | NCGC00

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504763780
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763780
• Sorrisi canonici: CC(=CC1=CC=CC=C1)C=O
• IUPAC Name: (E)-2-methyl-3-phenylprop-2-enal
• InChIKey: VLUMOWNVWOXZAU-VQHVLOKHSA-N
• INCHI: 1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
• Isomeri SMILES: C/C(=C\C1=CC=CC=C1)/C=O
• Peso molecolare: 146.19
• Reaxy-Rn: 507514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Benzene and substituted derivatives Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Benzenoid - Monocyclic benzene moiety - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 79 °C
• Punto di ebollizione (°C): 148-149 °C/27 mmHg
• Peso molecolare: 146.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Hongbo Yu, Jihao Zhao, Chunzheng Wu, Bo Yan, Shuangliang Zhao, Hongfeng Yin, Shenghu Zhou.  (2021)  Highly Efficient Ir–CoOx Hybrid Nanostructures for the Selective Hydrogenation of Furfural to Furfuryl Alcohol.  LANGMUIR,      [PMID:33492955] [10.1021/acs.langmuir.0c03367]

2. Zehao Li, Wanying Wang, Lulu Zhang, Jinchu Yang, Yongming Xu, Zhenzhen Huang, Wanzeng Li, Shiying Wang, Jingwen Yang, Zhifeng Zhang.  (2025)  Identification, Characterization, and Mechanism of the Ene Reductase KlebER3 from Klebsiella sp. O852 for the Production of Dihydrocarvone.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41329653] [10.1021/acs.jafc.5c10217]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 15174-47-7, the molecular formula is C10H10O, and the molecular weight is 146.19 g/mol. InChIKey VLUMOWNVWOXZAU-VQHVLOKHSA-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.