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15467-06-8

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Basic Information
CAS No.: 15467-06-8
Name: LITHIUM RICINOLEATE
Molecular Structure:
Molecular Structure of 15467-06-8 (LITHIUM RICINOLEATE)
Formula: C18H33LiO3
Molecular Weight: 304.39
Synonyms: 9-Octadecenoicacid, 12-hydroxy-, monolithium salt, (9Z,12R)- (9CI);9-Octadecenoic acid, 12-hydroxy-,monolithium salt, [R-(Z)]-;Ricinoleic acid, monolithium salt, (Z)-(+)- (8CI);Lithium ricinoleate;Ricinoleic acid, lithium salt;Lithium (Z,12R)-12-hydroxyoctadec-9-enoate;
EINECS: 239-481-9
Density: 0.997[at 20℃]
Boiling Point: 416.4 °C at 760 mmHg
Flash Point: 219.8 °C
Solubility: 3.46g/L at 25℃
PSA: 60.36000
LogP: 3.74460
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Specification

The 9-Octadecenoic acid,12-hydroxy-, lithium salt (1:1), (9Z,12R)-, with the CAS registry number 15467-06-8, is also known as Lithium ricinoleate. It belongs to the product category of Organic-metal salt. Its EINECS number is 239-481-9. This chemical's molecular formula is C18H33LiO3 and molecular weight is 304.39. What's more, its IUPAC name is lithium (Z,12R)-12-hydroxyoctadec-9-enoate.

Physical properties of 9-Octadecenoic acid,12-hydroxy-, lithium salt (1:1), (9Z,12R)- are: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.9; (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)Polar Surface Area: 46.53 Å2; (13)Flash Point: 219.8 °C; (14)Enthalpy of Vaporization: 77.36 kJ/mol; (15)Boiling Point: 416.4 °C at 760 mmHg; (16)Vapour Pressure: 1.12E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Li+].CCCCCCC(CC=CCCCCCCCC(=O)[O-])O
(2)Isomeric SMILES: [Li+].CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O
(3)InChI: InChI=1S/C18H34O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1/b12-9-;/t17-;/m1./s1
(4)InChIKey: UWZUWNMEIDBHOF-DPMBMXLASA-M