hexacosanoic acid

• ChemBase ID: 88337
• Molecular Formular: C26H52O2
• Molecular Mass: 396.68988
• Monoisotopic Mass: 396.3967309
• SMILES: O=C(CCCCCCCCCCCCCCCCCCCCCCCCC)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
• InChIKey: XMHIUKTWLZUKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacosanoic acid
• IUPAC Traditional name: hexacosanoic acid
• Synonyms: Hexacosanoic acid; Cerotic acid; Hexacosanoic acid; Cerotinic acid; CEROTIC ACID; Ceratinic Acid; Ceric Acid; Cerinic Acid; Cerylic Acid; NSC 4205; n-Hexacosanoic Acid; 二十六酸; 虫蜡酸; 蜡酸

Database IDs

• CAS Number: 506-46-7
• EC Number: 208-040-2
• MDL Number: MFCD00002811
• Beilstein Number: 1799681
• PubChem SID: 24895399; 162075310; 24874240
• PubChem CID: 10469
• Chemspider ID: 10037
• Wikipedia Title: Cerotic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 10.046464
• LogD (pH = 7.4): 8.287329
• Log P: 10.70227
• Molar Refractivity: 123.0936 cm^3
• Polarizability: 49.166264 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Crystalline solid; White Solid
• Melting Point: 84-88 °C; 87-89°C; 88°C; 88-89°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant/Keep Cold
• German water hazard class: 3
• Safety Statements: R
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); ≥95% (capillary GC); 98%; 99%
• Grade: technical
• Linear Formula: CH3(CH2)24COOH

DETAILS

MP Biomedicals - 05208247

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157345

Purity: 99%

Sigma Aldrich - 52200

Packaging
1 g in glass bottle
250 mg in glass bottle