Octadecanoic Acid [[Tetrahydro-4-Hydroxy-3,5,5-Tris(Hydroxymethyl)-2H-Pyran]-3-Yl]Methyl Ester
[CAS# 67953-13-3]

Identification

• Name: Octadecanoic Acid [[Tetrahydro-4-Hydroxy-3,5,5-Tris(Hydroxymethyl)-2H-Pyran]-3-Yl]Methyl Ester
• Synonyms: [4-Hydroxy-3,5,5-Tris(Hydroxymethyl)Tetrahydropyran-3-Yl]Methyl Octadecanoate; Octadecanoic Acid [4-Hydroxy-3,5,5-Tris(Hydroxymethyl)-3-Tetrahydropyranyl]Methyl Ester; Stearic Acid (4-Hydroxy-3,5,5-Trimethylol-Tetrahydropyran-3-Yl)Methyl Ester
• Molecular Formula: C₂₇H₅₂O₇
• Molecular Weight: 488.70
• CAS Registry Number: 67953-13-3
• SMILES: C(C1(COCC(C1O)(CO)CO)CO)OC(=O)CCCCCCCCCCCCCCCCC
• InChI: 1S/C27H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)34-23-27(20-30)22-33-21-26(18-28,19-29)25(27)32/h25,28-30,32H,2-23H2,1H3
• InChIKey: BPFNDUHQLDMVAQ-UHFFFAOYSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 623.193°C at 760 mmHg (Cal.)
• Flash point: 193.76°C (Cal.)