α-Methyl-trans-cinnamaldehyde - CAS 101-39-3
Catalog: |
BB000500 |
Product Name: |
α-Methyl-trans-cinnamaldehyde |
CAS: |
101-39-3 |
Synonyms: |
(E)-2-methyl-3-phenylprop-2-enal |
IUPAC Name: | (E)-2-methyl-3-phenylprop-2-enal |
Description: | α-Methyl-trans-cinnamaldehyde (CAS# 101-39-3) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC(=CC1=CC=CC=C1)C=O |
InChI: | InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+ |
InChI Key: | VLUMOWNVWOXZAU-VQHVLOKHSA-N |
Boiling Point: | 148-149 °C27 mmHg (lit.) |
Flash Point: | 175 °F |
Purity: | 95 % |
Density: | 1.047 g/mL at 25 °C (lit.) |
Solubility: | water, 752.8 mg/L @ 25 °C (est) |
Appearance: | Yellow liquid |
MDL: | MFCD00006976 |
LogP: | 2.28880 |
Refractive Index: | n20/D 1.605(lit.) |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
GHS Hazard Statement: | H317 (99.66%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480492-A | Preparation method of epalrestat | 20210819 |
CN-113024367-A | Method for preparing alpha-hexyl cinnamaldehyde | 20210322 |
CN-112979632-A | Synthesis method of 4-hydroxy-1, 3-thiazine-2-thioketone compound | 20210315 |
CN-112851559-A | FtsZ and QseC double-target antibacterial molecule and preparation method and application thereof | 20210123 |
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PMID | Publication Date | Title | Journal |
22178679 | 20120401 | Anticandidal activity of curcumin and methyl cinnamaldehyde | Fitoterapia |
21476019 | 20111001 | Antifungal activity of α-methyl trans cinnamaldehyde, its ligand and metal complexes: promising growth and ergosterol inhibitors | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine |
21324598 | 20110610 | Fumigant toxicity of cassia and cinnamon oils and cinnamaldehyde and structurally related compounds to Dermanyssus gallinae (Acari: Dermanyssidae) | Veterinary parasitology |
21064170 | 20101122 | Focused directed evolution of pentaerythritol tetranitrate reductase by using automated anaerobic kinetic screening of site-saturated libraries | Chembiochem : a European journal of chemical biology |
20461254 | 20100928 | Bioreduction of alpha-methylcinnamaldehyde derivatives: chemo-enzymatic asymmetric synthesis of Lilial and Helional | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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