4-Methoxycinnamaldehyde

The 4-Methoxycinnamaldehyde, with the CAS registry number 1963-36-6, is also known as Methoxycinnamaldehyde, p-. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). Its EINECS registry number is 217-807-0. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.19. Its IUPAC name is called (E)-3-(4-methoxyphenyl)prop-2-enal. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 4-Methoxycinnamaldehyde: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 21.99; (5)ACD/BCF (pH 7.4): 21.99; (6)ACD/KOC (pH 5.5): 317.94; (7)ACD/KOC (pH 7.4): 317.94; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 49 cm³; (12)Molar Volume: 151.7 cm³; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.068 g/cm³; (15)Flash Point: 146.5 °C; (16)Enthalpy of Vaporization: 54.94 kJ/mol; (17)Boiling Point: 308.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00067 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-cinnamyl alcohol. This reaction will need reagent oxygen and solvent toluene. The reaction time is 10 hours with reaction temperature of 90 °C. The yield is about 96%.

Uses of 4-Methoxycinnamaldehyde: it can be used to produce 7-(4-methoxy-phenyl)-2-methyl-1,1-bis-methylsulfanyl-hepta-1,4,6-trien-3-one at ambient temperature. This reaction will need reagent C₂H₅ONa and solvent ethanol with reaction time of 3 hours. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C=CC=O
(2)Isomeric SMILES: COC1=CC=C(C=C1)/C=C/C=O
(3)InChI: InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
(4)InChIKey: AXCXHFKZHDEKTP-NSCUHMNNSA-N