icosanoic acid

• ChemBase ID: 10653
• Molecular Formular: C20H40O2
• Molecular Mass: 312.5304
• Monoisotopic Mass: 312.30283052
• SMILES: C(CCCCCCCCC(=O)O)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
• InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosanoic acid
• IUPAC Traditional name: arachidic acid
• Synonyms: icosanoic acid; Icosanoic acid; NSC 93983; Arachidic acid; Arachidic acid; eicosanoic acid; n-eicosanoic acid; arachidic acid; C20:0 (Lipid numbers); ARACHIDIC ACID TECHNICAL GRADE; n-Eicosanoic Acid; Arachic Acid; Arachidinic acid; 二十烷酸; 正二十酸; 正构廿烷酸; 花生酸

Database IDs

• CAS Number: 506-30-9
• EC Number: 208-031-3
• MDL Number: MFCD00002755
• Beilstein Number: 1788211
• Merck Index: 14764
• PubChem SID: 160973960; 24846908; 24846906; 24890792
• PubChem CID: 10467
• CHEBI ID: 28822
• CHEMBL: 1173381
• Chemspider ID: 10035
• KEGG ID: C06425
• Wikipedia Title: Arachidic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 7.379052
• LogD (pH = 7.4): 5.619917
• Log P: 8.034858
• Molar Refractivity: 95.4876 cm^3
• Polarizability: 38.092808 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform: soluble50 mg/mL, clear, colorless; Practically insoluble in water
• Apperance: White crystalline solid
• Melting Point: 74-76 °C(lit.); 74-76°C; 74-76°C; 75.5°C
• Boiling Point: 328°C; 328°C (some decomposition)
• Flash Point: 110 °C; 169.7 °C; 230 °F
• Density: 0.8240 g/cm^3

Safety Information

• Storage Condition: 0°C
• Storage Warning: IRRITANT
• RTECS: JX3780000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~99%; ≥98.0% (GC); ≥99%; ≥99.0% (GC); 98%
• Grade: TECHNICAL
• Quality: synthetic
• Linear Formula: CH3(CH2)18COOH
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02100718

Crystalline
Purity: ~99%

MP Biomedicals - 05213945

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A3631

Biochem/physiol Actions
Arachidic acid is a saturated fatty acid with a 20 carbon chain. Arachidic acid occurs naturally in fish and vegetable oils. Diets rich in saturated fats like arachidic acid are associated with increased levels of serum low density lipoproteins.
包装
1, 5, 10, 25 g in poly bottle
500 mg in poly bottle

Sigma Aldrich - 10930

Packaging
1, 5, 25 g in glass bottle