potassium hexadecanoate

• ChemBase ID: 111239
• Molecular Formular: C16H31KO2
• Molecular Mass: 294.51444
• Monoisotopic Mass: 294.19611191
• SMILES: [K+].CCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)[O-].[K+]
• InChI: InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1
• InChIKey: MQOCIYICOGDBSG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium hexadecanoate
• IUPAC Traditional name: potassium ion n-hexadecanoate; potassium n-hexadecanoate
• Synonyms: POTASSIUM PALMITATE; Palmitic acid potassium salt standard; Potassium palmitate solution; Soap according to Blacher; Potassium palmitate standard solution; 十六烷酸钾; 棕榈酸钾 溶液; 软脂酸鉀; 棕榈酸钾

Database IDs

• CAS Number: 2624-31-9
• EC Number: 220-088-6
• MDL Number: MFCD00045930
• Beilstein Number: 3918885
• PubChem SID: 24861762; 162096795
• PubChem CID: 23676743

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.600777
• LogD (pH = 7.4): 3.8416421
• Log P: 6.2565827
• Molar Refractivity: 87.9207 cm^3
• Polarizability: 30.60571 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 12 °C; 53.6 °F

Safety Information

• RTECS: ML9830000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1219
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/38-67
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H336
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1219 3/PG 2

Product Information

• Concentration: 0.1 M CH3(CH2)14COOK
• Quality: according to Blacher; volumetric
• Linear Formula: CH3(CH2)14COOK

DETAILS

MP Biomedicals - 05218304

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 35179

General description
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