The 9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)-, with the CAS registry number 13040-19-2,is also known as zinc diricinoleate. It belongs to the product categories of Organic matters. Its EINECS number is 235-911-4. This chemical's molecular formula is C36H66O6Zn and molecular weight is 660.31. What's more,Its systematic name is 9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)-.It is the key component of TEGO Sorb A30 which is a deodorant soluble in water, efficient environmental protection material,the deodorant is used For geting rid of the effect of smoke and garlic.
Physical properties about 9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)- are:
(1)ACD/LogP: 5.701; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.90; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 2016.51; (6)ACD/BCF (pH 7.4): 32.34; (7)ACD/KOC (pH 5.5): 4788.76; (8)ACD/KOC (pH 7.4): 76.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Flash Point: 219.8 °C; (13)Enthalpy of Vaporization: 77.36 kJ/mol; (14)Boiling Point: 416.4 °C at 760 mmHg; (15)Vapour Pressure: 1.12E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[O-]C(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC.[O-]C(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC;
(2)Std. InChI:InChI=1S/2C18H34O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9-;/t2*17-;/m11./s1;
(3)Std. InChIKey:GAWWVVGZMLGEIW-GNNYBVKZSA-L.
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