Heptanoic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
[CAS# 68855-18-5]

Identification

• Name: Heptanoic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
• Synonyms: 2,2-Dimethylpropane-1,3-Diol; Enanthic Acid; Heptanoic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
• Molecular Formula: C₁₂H₂₆O₄
• Molecular Weight: 234.34
• CAS Registry Number: 68855-18-5
• EINECS: 272-469-1
• SMILES: C(O)C(CO)(C)C.C(C(=O)O)CCCCC
• InChI: 1S/C7H14O2.C5H12O2/c1-2-3-4-5-6-7(8)9;1-5(2,3-6)4-7/h2-6H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3
• InChIKey: VRYUGRNJSPQWJC-UHFFFAOYSA-N

Properties

• Boiling point: 222.6°C at 760 mmHg (Cal.)
• Flash point: 99.2°C (Cal.)