TRANS-2-NONENAL

The trans-2-Nonenal, with the CAS registry number 18829-56-6 and EINECS registry number 242-609-6, has the systematic name of (2E)-non-2-enal. It is a kind of clear colourless to pale yellow liquid, and belongs to the following product categories: Aldehydes; C9; Carbonyl Compounds; Alphabetical Listings; Flavors and Fragrances; M-N. And the molecular formula of the chemical is C₉H₁₆O.

The characteristics of trans-2-Nonenal are 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): 151.03; (6)ACD/BCF (pH 7.4): 151.03; (7)ACD/KOC (pH 5.5): 1262.96; (8)ACD/KOC (pH 7.4): 1262.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 43.98 cm³; (15)Molar Volume: 168 cm³; (16)Polarizability: 17.43×10^-24cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.834 g/cm³; (19)Flash Point: 84.4 °C; (20)Enthalpy of Vaporization: 44.12 kJ/mol; (21)Boiling Point: 205 °C at 760 mmHg; (22)Vapour Pressure: 0.256 mmHg at 25°C.

Preparation of trans-2-Nonenal: This chemical can be prepared by cyclic carbonate of 3-nonene-1,2-diol. The reaction will need reagent Pd(PPh₃)₄, and the menstruum acetic acid. The reaction time is 2 hours with temperature of 80°C, and the yield is about 76%. 

Uses of trans-2-Nonenal: It can react with acetic acid hydrazide to produce acetic acid non-2-enylidene-hydrazide. This reaction will need menstruum ethanol. The reaction time is 3 hours with temperature of 20°C, and the yield is about 74%.  

 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/C=C/CCCCCC
(2)InChI: InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
(3)InChIKey: BSAIUMLZVGUGKX-BQYQJAHWBS