CITRAL

This chemical is called 2,6-Octadienal,3,7-dimethyl-, reaction products with Et alc, and its systematic name is Citral and ethanol reaction product. With the molecular formula of C₁₀H₁₆O, its molecular weight is 152.23. The CAS registry number of this chemical is 147060-73-9. Additionally, its classification code is TSCA UVCB.

Other characteristics of the 2,6-Octadienal,3,7-dimethyl-, reaction products with Et alc can be summarised as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.79; (6)ACD/BCF (pH 7.4): 150.79; (7)ACD/KOC (pH 5.5): 1261.48; (8)ACD/KOC (pH 7.4): 1261.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 48.36 cm³; (15)Molar Volume: 177.7 cm³; (16)Polarizability: 19.17×10^-24cm ³; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.856 g/cm³; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 46.56 kJ/mol; (21)Boiling Point: 229 °C at 760 mmHg; (22)Vapour Pressure: 0.0712 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to skin. It may cause sensitization by skin contact. Avoid contacting with skin and eyes. Wear suitable gloves if you use it.

You can still convert the following datas into molecular structure:
1.SMILES: O=C/C=C(/CC/C=C(/C)C)C
2.InChI: InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
3.InChIKey: WTEVQBCEXWBHNA-JXMROGBWBB