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9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)-

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Name

9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)-

EINECS 235-911-4
CAS No. 13040-19-2 Density 1.095[at 20℃]
PSA 120.72000 LogP 7.48670
Solubility N/A Melting Point N/A
Formula C18H34 O3 . 1/2 Zn Boiling Point 416.4°C at 760 mmHg
Molecular Weight 660.29564 Flash Point 219.8°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13040-19-2 (zinc diricinoleate) Hazard Symbols N/A
Synonyms

Kosmos 54;Tego Sorb A 30;9-Octadecenoicacid, 12-hydroxy-, zinc salt (2:1), [R-(Z)]-;Ricinoleic acid, zinc salt (2:1)(8CI);Tego Sorb PY 88 TQ;Zinc ricinoleate;

 

9-Octadecenoic acid,12-hydroxy-,zinc salt (2:1),(9Z,12R)- Specification

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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