α-Methyl-trans-cinnamaldehyde - ≥95% , CAS No.101-39-3

CAS: 101-39-3 Cat. No.: M102181 Formula: C₁₀H₁₀O Peso molecolare: 146.19 Beilstein Registry Number: 7369 Numero EC: 202-938-8

GRADE & PURITY ≥95%

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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508811286
• 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
• WGK Germania: 1
• RTECS: GD6600000
• Numero UN: 1993
• Gruppo di imballaggio: I
• Peso molecolare: 146.19
• Beilstein: 7369
• 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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.605
• Punto di infiammabilità (°F): 174.2 °F
• Punto di infiammabilità (°C): 79°C
• Punto di ebollizione (°C): 148-149°C
• 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. Xiaoying Zhao, Ruoyan Miao, Tianze Xu, Xiaolong Du, Xueyan Zhang, Wanyu Zhao, Huidong Xie, Liang Zhang, Jianzheng He, Zhenhui Ma, Hu Liu.  (2024)  Changing Cinnamaldehyde Skeleton Achieves Antibacterial Nanoswitch.  ACS Applied Materials & Interfaces,      [PMID:38556984] [10.1021/acsami.3c18277]

2. Shuibo Wang, Biao Wu, Qiuju Zhang, Yiming Li, Lin Zhu, Hongbo Yu, Hongfeng Yin.  (2024)  Design of Pt@Sn core–shell nanocatalysts for highly selective hydrogenation of cinnamaldehyde to prepare cinnamyl alcohol.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151019]

3. 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]