methyl tetracosanoate

• ChemBase ID: 111983
• Molecular Formular: C25H50O2
• Molecular Mass: 382.6633
• Monoisotopic Mass: 382.38108084
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C25H50O2/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)27-2/h3-24H2,1-2H3
• InChIKey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl tetracosanoate
• IUPAC Traditional name: methyl tetracosanoate
• Synonyms: METHYL LIGNOCERATE; Lignoceric acid methyl ester; Methyl tetracosanoate; 木蜡酸甲酯; 二十四烷酸甲酯

Database IDs

• CAS Number: 2442-49-1
• EC Number: 219-475-2
• MDL Number: MFCD00009351
• Beilstein Number: 1797895
• PubChem SID: 24888856; 162097148; 24896443
• PubChem CID: 75546

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.959026
• LogD (pH = 7.4): 9.959026
• Log P: 9.959026
• Molar Refractivity: 118.6607 cm^3
• Polarizability: 47.58289 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 58-60 °C(lit.)
• Boiling Point: 232 °C/4 mmHg(lit.)

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (capillary GC); ≥99.0% (GC)
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)22COOCH3

DETAILS

MP Biomedicals - 05222038

MP Biomedicals Rare Chemical collection