2-Ethyl-Hexanoic Acid 1,1'-(2,2-Dimethyl-1,3-Propanediyl) Ester
[CAS# 28510-23-8]

Identification

• Name: 2-Ethyl-Hexanoic Acid 1,1'-(2,2-Dimethyl-1,3-Propanediyl) Ester
• Synonyms: [3-(2-Ethylhexanoyloxy)-2,2-Dimethyl-Propyl] 2-Ethylhexanoate; 2-Ethylhexanoic Acid [3-(2-Ethyl-1-Oxohexoxy)-2,2-Dimethylpropyl] Ester; 2-Ethylhexanoic Acid [3-(2-Ethylhexanoyloxy)-2,2-Dimethyl-Propyl] Ester
• Molecular Formula: C₂₁H₄₀O₄
• Molecular Weight: 356.54
• CAS Registry Number: 28510-23-8
• EINECS: 249-060-1
• SMILES: C(OC(=O)C(CC)CCCC)C(COC(=O)C(CC)CCCC)(C)C
• InChI: 1S/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3
• InChIKey: GORMSINSWZJIKL-UHFFFAOYSA-N

Properties

• Density: 0.931g/cm³ (Cal.)
• Boiling point: 422.551°C at 760 mmHg (Cal.)
• Flash point: 195.756°C (Cal.)