potassium octadec-9-enoate

• ChemBase ID: 110937
• Molecular Formular: C18H33KO2
• Molecular Mass: 320.55172
• Monoisotopic Mass: 320.21176198
• SMILES: [K+].CCCCCCCC/C=C/CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[K+]
• InChI: InChI=1S/C18H34O2.K/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: MLICVSDCCDDWMD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium octadec-9-enoate
• IUPAC Traditional name: potassium 9-octadecenoate; potassium ion 9-octadecenoate
• Synonyms: Oleic acid potassium salt; Potassium oleate; POTASSIUM OLEATE; 十八烯酸 钾盐; 油酸钾

Database IDs

• CAS Number: 143-18-0
• EC Number: 205-590-5
• MDL Number: MFCD00064243
• Beilstein Number: 4167152
• PubChem SID: 24857521; 24881878; 162096524
• PubChem CID: 23707731

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

• Flash Point: 140 °F; 60 °C

Safety Information

• RTECS: RK1150000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥87% (fatty acid)
• Concentration: 40 wt. % paste in H2O
• Grade: technical
• Impurities: ≤0.3% free KOH; ≤1.5% humidity
• Linear Formula: CH3(CH2)7CH=CH(CH2)7COOK

DETAILS

MP Biomedicals - 05217101

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 291242

Packaging
1 kg in poly bottle
25 g in poly bottle