1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate

• ChemBase ID: 130481
• Molecular Formular: C51H98O6
• Molecular Mass: 807.32022
• Monoisotopic Mass: 806.73634086
• SMILES: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
• InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate
• IUPAC Traditional name: tripalmitin
• Synonyms: Palmitin; Glycerol tripalmitate; Glycerin tripalmitate; Glyceryl tripalmitate; Palmitic triglyceride; Tripalmitoyl glycerol; Tripalmitin; Tripalmitin; Glyceryl tripalmitate; Glycerol tripalmitate; Glyceryl Trihexadecanoate; 1,1,1-13C-Tripalmitin; Propane-1,2,3-triyl tripalmitate; 三棕榈酸甘油酯

Database IDs

• CAS Number: 555-44-2
• EC Number: 209-098-1
• MDL Number: MFCD00008995
• Beilstein Number: 1811188
• PubChem SID: 162224760; 24900325; 24900503
• PubChem CID: 11147
• Chemspider ID: 10674
• Wikipedia Title: Tripalmitin

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 18.924149
• LogD (pH = 7.4): 18.924149
• Log P: 18.924149
• Molar Refractivity: 241.2903 cm^3
• Polarizability: 96.9837 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 50
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 58-65 °C; 60-64°C; 63-64°C; 66-68 °C; 67.4°C

Safety Information

• RTECS: RT4953500
• German water hazard class: nwg
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~95% C16 basis (GC); ≥85%; ≥99%; ≥99.0% (GC); 95+%; 98%
• Grade: technical
• Linear Formula: [CH3(CH2)14COOCH2]2CHOCO(CH2)14CH3

DETAILS

Sigma Aldrich - T5888

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