methyl tricosanoate

• ChemBase ID: 104733
• Molecular Formular: C24H48O2
• Molecular Mass: 368.63672
• Monoisotopic Mass: 368.36543078
• SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3
• InChIKey: VORKGRIRMPBCCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl tricosanoate
• IUPAC Traditional name: methyl tricosanoate
• Synonyms: Methyl tricosanoate; TRICOSANOIC ACID METHYL ESTER; Tricosanoic acid methyl ester; Methyl tricosanoate; 二十三酸甲酯; 二十三烷酸甲酯

Database IDs

• CAS Number: 2433-97-8
• EC Number: 219-420-2
• MDL Number: MFCD00009349
• Beilstein Number: 1796627
• PubChem SID: 24889486; 162091698; 24900613
• PubChem CID: 75519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.514458
• LogD (pH = 7.4): 9.514458
• Log P: 9.514458
• Molar Refractivity: 114.0597 cm^3
• Polarizability: 45.73688 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: light yellow crystalline
• Melting Point: 53-56 °C; 53-56 °C(lit.)
• Flash Point: >113 °C; >235.4 °F; 113 °C; 235.4 °F

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: >90%; ≥97.0% (GC); ≥99.0% (GC); 90-95%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)21COOCH3

DETAILS

MP Biomedicals - 02156992

Purity: >90%
Light yellow crystals.

Sigma Aldrich - T9900

Packaging
1, 5 g in poly bottle
100, 500 mg in poly bottle