tetracos-15-enoic acid

• ChemBase ID: 104409
• Molecular Formular: C24H46O2
• Molecular Mass: 366.62084
• Monoisotopic Mass: 366.34978071
• SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)
• InChIKey: GWHCXVQVJPWHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracos-15-enoic acid
• IUPAC Traditional name: 15-tetracosenoic acid
• Synonyms: Selacholeic acid; Nervonic acid; cis-15-Tetracosenoic acid; NERVONIC ACID; 顺-15-二十四碳烯酸; 鲨油酸; 神经酸

Database IDs

• CAS Number: 506-37-6
• MDL Number: MFCD00010507
• Beilstein Number: 1728551
• PubChem SID: 162092184; 24888857
• PubChem CID: 5282773

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 8.795405
• LogD (pH = 7.4): 7.0362697
• Log P: 9.45121
• Molar Refractivity: 115.0082 cm^3
• Polarizability: 45.23883 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 42-43 °C(lit.)
• Flash Point: 110 °C; 230 °F

Safety Information

• Storage Condition: Room Temperature (15-30°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: -20°C

Product Information

• Purity: ≥99.0% (GC); 95%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)7CH=CH(CH2)13COOH (cis)

DETAILS

MP Biomedicals - 02155819

(cis-15-Tetracosenoic acid) Purity: 95% Supplied in hexane solvent.