LINOELAIDIC ACID

The CAS register number of 9,12-Octadecadienoicacid, (9E,12E)- is 506-21-8. It also can be called as 9-trans-12-trans-Octadecadienoic acid and the IUPAC name about this chemical is octadeca-9,12-dienoic acid. The molecular formula about this chemical is C₁₈H₃₂O₂ and the molecular weight is 280.45. If you store and use this chemical according the rule, it will not be decomposed. If you want to store it, you should keep the container tightly sealed in dry, cool places with the temperature of -20 °C.

Physical properties about 9,12-Octadecadienoicacid, (9E,12E)- are: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 26824.77; (6)ACD/BCF (pH 7.4): 430.14; (7)ACD/KOC (pH 5.5): 30530.14; (8)ACD/KOC (pH 7.4): 489.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 87.12 cm³; (15)Molar Volume: 307.5 cm³; (16)Polarizability: 34.53x10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 273 °C; (20)Enthalpy of Vaporization: 66.6 kJ/mol; (21)Boiling Point: 360.6 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-06 mmHg at 25 °C.

Uses of 9,12-Octadecadienoicacid, (9E,12E)-: it can be used to produce 8-[3-(3-pentyl-oxiranylmethyl)-oxiranyl]-octanoic acid. This reaction will need reagent of HOF*CH₃CN. This reaction needs two steps. The reaction time is 3 min. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCC/C=C/C/C=C/CCCCC
(2)InChI: InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
(3)InChIKey: OYHQOLUKZRVURQ-AVQMFFATBA
(4)Std. InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
(5)Std. InChIKey: OYHQOLUKZRVURQ-AVQMFFATSA-N