sodium (9Z)-octadec-9-enoate

• ChemBase ID: 132469
• Molecular Formular: C18H33NaO2
• Molecular Mass: 304.44319
• Monoisotopic Mass: 304.23782458
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+]
• 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/b10-9-
• InChIKey: BCKXLBQYZLBQEK-KVVVOXFISA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (9Z)-octadec-9-enoate
• IUPAC Traditional name: sodium oleate
• Synonyms: 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: 162226746; 24897988; 24898044
• PubChem CID: 23665730

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

• Melting Point: 232-235 °C(lit.)

Safety Information

• RTECS: RK1200000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (capillary GC); ≥99%

DETAILS

Sigma Aldrich - O7501

包装
1, 5, 10 g in glass bottle
250 mg in glass bottle
Sealed ampule.
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 - O3880

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.