tetracosanoic acid

• ChemBase ID: 105951
• Molecular Formular: C24H48O2
• Molecular Mass: 368.63672
• Monoisotopic Mass: 368.36543078
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)
• InChIKey: QZZGJDVWLFXDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracosanoic acid
• IUPAC Traditional name: lignoceric acid
• Synonyms: Lignoceric acid; Tetracosanoic acid; LIGNOCERIC ACID; TETRACOSANOIC ACID, LIGNOCERIC ACID, REAG.; C24:0 (Lipid numbers); Lignoceric acid; Tetracosanoic acid; 二十四烷酸; 木蜡酸; 木蜡酸; 二十四烷酸

Database IDs

• CAS Number: 557-59-5
• EC Number: 209-180-7
• MDL Number: MFCD00002810
• Beilstein Number: 1728237
• PubChem SID: 24888855; 162093876; 24896440
• PubChem CID: 11197
• CHEBI ID: 28866
• CHEMBL: 1173620
• Chemspider ID: 10724
• KEGG ID: C08320
• Wikipedia Title: Lignoceric_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 9.157327
• LogD (pH = 7.4): 7.3981915
• Log P: 9.813132
• Molar Refractivity: 113.8916 cm^3
• Polarizability: 45.474663 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 75-83 °C(lit.); 80-82 °C; 84.2 °C
• Boiling Point: 272 °C/10 mmHg(lit.)

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99% (capillary GC); ≥99.0% (GC); 99%
• Quality: synthetic
• Linear Formula: CH3(CH2)22COOH

DETAILS

MP Biomedicals - 02195288

Crystalline
Purity: 99%

MP Biomedicals - 05214835

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L6641

包装
1, 5, 10 g in poly bottle
100 mg in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. L6641.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.