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

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  • Name 9-Octadecenoic acid,12-hydroxy-, lithium salt (1:1), (9Z,12R)-
  • EINECS239-481-9
  • CAS No. 15467-06-8
  • Density0.997[at 20℃]
  • PSA60.36000
  • LogP3.74460
  • Solubility3.46g/L at 25℃
  • Melting PointN/A
  • FormulaC18H33LiO3
  • Boiling Point416.4 °C at 760 mmHg
  • Molecular Weight304.39
  • Flash Point219.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 15467-06-8 (LITHIUM RICINOLEATE)
  • Hazard SymbolsN/A
  • SynonymsN/A

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

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