trans-3-hexenoic acid (1577-18-0)

With the cas registry number 1577-18-0, the Trans-3-Hexenoic acid has the systematic name which is(3E)-hex-3-enoic acid. This is a kind of clear colorless to pale yellow liquid and is slightly soluble in water. Besides, its product categories are various, including alphabetical listings; flavors and fragrances; g-h; c6; carbonyl compounds; carboxylic acids.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 0.56; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.31; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 31.46 cm³; (14)Molar Volume: 115.8 cm³; (15)Polarizability: 12.47× 10^-24 cm³; (16)Surface Tension: 34 dyne/cm; (17)Density: 0.985 g/cm³; (18)Flash Point: 106.4 °C; (19)Enthalpy of Vaporization: 49.06 kJ/mol; (20)Boiling Point: 209 °C at 760 mmHg; (21)Vapour Pressure: 0.0831 mmHg at 25°C; (22)Exact Mass: 113.060255; (23)MonoIsotopic Mass: 113.060255; (24)Topological Polar Surface Area: 40.1; (25)Heavy Atom Count: 8; (26)Formal Charge: -1; (27)Complexity: 89.2.

Production method of this chemical is as follows: hexa-2t,4t-dienoic acid could react to produce Trans-3-Hexenoic, with the following condition: reagent: water and sodium amalgam; other condition: unter zeitweiser Neutralisation mit verd.Schwefelsaeure.

Use of Trans-3-Hexenoic is as follows: allylmagnesium bromide reacts with Trans-3-Hexenoic to produce deca-1,7-dien-5-one, with the following condition: reagent: cuprous chloride; solution: tetrahydrofuran; reaction time: 8 hours; yield: 34%; other condition: Ambient temperature.

While dealing with this chemical, you should be very cautious. For being a kind of corrosive chemical, it may destroy living tissue on contact. Besides, it could cause burns. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible); And after contacting with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer).
 
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:O=C(O)C/C=C/CC
(2)InChI:InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
(3)InChIKey:XXHDAWYDNSXJQM-ONEGZZNKBS