sodium octadec-9-enoate

• ChemBase ID: 111177
• Molecular Formular: C18H33NaO2
• Molecular Mass: 304.44319
• Monoisotopic Mass: 304.23782458
• SMILES: [Na+].CCCCCCCC/C=C/CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Na+]
• InChI: InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1
• InChIKey: BCKXLBQYZLBQEK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium octadec-9-enoate
• IUPAC Traditional name: potassium 9-octadecenoate; sodium 9-octadecenoate
• Synonyms: SODIUM OLEATE; cis-9-Octadecenoic acid sodium salt; Oleic acid sodium salt; Sodium oleate; 油酸 钠盐; 顺式-9-十八烯酸 钠盐; 油酸钠

Database IDs

• CAS Number: 143-19-1
• EC Number: 205-591-0
• MDL Number: MFCD00004438
• Beilstein Number: 4046357
• PubChem SID: 162103211; 24855800
• PubChem CID: 23676148

CALCULATED PROPERTIES

• Acid pKa: 4.9881673
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.155865
• LogD (pH = 7.4): 4.4022083
• Log P: 6.783798
• Molar Refractivity: 98.2393 cm^3
• Polarizability: 34.058086 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol: soluble50 mg/mL, clear, colorless
• Apperance: powder
• Melting Point: 232-235 °C(lit.)

Safety Information

• RTECS: RK1200000
• German water hazard class: 1; 3
• Safety Statements: 22-24/25
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥82% fatty acids (as oleic acid) basis; ≥98.5% (GC); 98%
• Impurities: ≤0.005% heavy metals (as Pb); ≤0.5% free alkali (as NaOH); ≤5% water
• Antion Traces: chloride (Cl-): ≤2000 mg/kg
• Linear Formula: CH3(CH2)7CH=CH(CH2)7COONa

DETAILS

MP Biomedicals - 05218057

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 26125

Application
Oleic acid is used to investigate effects on apolipoprotein B synthesis, degradation and secretion in cultured cells.
Biochem/physiol Actions
Oleic acid increases hepatic secretion of apolipoprotein B100 in hepatocyte cell lines and in mice 1,2. Oleic acid inhibits apolipoprotein B100 secretion at higher physiologic doses 2.

Sigma Aldrich - 233978

Application
Oleic acid is used to investigate effects on apolipoprotein B synthesis, degradation and secretion in cultured cells.
Biochem/physiol Actions
Oleic acid increases hepatic secretion of apolipoprotein B100 in hepatocyte cell lines and in mice 1,2. Oleic acid inhibits apolipoprotein B100 secretion at higher physiologic doses 2.

Sigma Aldrich - 75165

Other Notes
Potent non-phagocytic stimulator of cyanide-resistant oxidative metabolism3
Application
Oleic acid is used to investigate effects on apolipoprotein B synthesis, degradation and secretion in cultured cells.
Biochem/physiol Actions
Oleic acid increases hepatic secretion of apolipoprotein B100 in hepatocyte cell lines and in mice 1,2. Oleic acid inhibits apolipoprotein B100 secretion at higher physiologic doses 2.