[(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Thiochroman-6-Yl] Acetate
[CAS# 133869-30-4]

Identification

• Name: [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Thiochroman-6-Yl] Acetate
• Synonyms: Acetic Acid [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]-6-Thiochromanyl] Ester; Acetic Acid [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Thiochroman-6-Yl] Ester; [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Thiochroman-6-Yl] Ethanoate
• Molecular Formula: C₃₁H₅₂O₂S
• Molecular Weight: 488.81
• CAS Registry Number: 133869-30-4
• SMILES: [C@@]2(CCC1=C(C(=C(C(=C1S2)C)C)OC(C)=O)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
• InChI: 1S/C31H52O2S/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
• InChIKey: PHDCNCCBUMXPPQ-CEFNRUSXSA-N

Properties

• Density: 0.958g/cm³ (Cal.)
• Boiling point: 552.202°C at 760 mmHg (Cal.)
• Flash point: 249.992°C (Cal.)