4-METHYL-2-PHENYL-2-PENTENAL

The Benzeneacetaldehyde, a-(2-methylpropylidene)-, with the CAS registry number 26643-91-4, is also known as 4-Methyl-2-phenyl-2-pentenal. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; M-N. And its EINECS registry number is 247-869-4. This chemical's molecular formula is C₁₂H₁₄O and molecular weight is 174.24. What's more, its IUPAC name is 4-Methyl-2-phenylpent-2-enal. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, this chemical can be prepared by aldol condensation of corresponding aldehyde in presence of alkaline catalyst. And it can be used as spices for food.

Physical properties about Benzeneacetaldehyde, a-(2-methylpropylidene)- are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 295.96; (6)ACD/BCF (pH 7.4): 295.96; (7)ACD/KOC (pH 5.5): 2044.13; (8)ACD/KOC (pH 7.4): 2044.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 54.82 cm³; (15)Molar Volume: 180.9 cm³; (16)Polarizability: 21.73×10^-24 cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.962 g/cm³; (19)Flash Point: 113.9 °C; (20)Enthalpy of Vaporization: 53.48 kJ/mol; (21)Boiling Point: 295.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00156 mmHg at 25 °C.

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

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(=CC(C)C)c1ccccc1
(2) InChI: InChI=1/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3
(3) InChIKey: ULRYRAHIBWLZKC-UHFFFAOYAK