(3aS,4R,5R,7aR)-2,2-Dimethyl-3A,4,5,7A-Tetrahydro-1,3-Benzodioxole-4,5-Diol
[CAS# 130669-76-0]

Identification

• Name: (3aS,4R,5R,7aR)-2,2-Dimethyl-3A,4,5,7A-Tetrahydro-1,3-Benzodioxole-4,5-Diol
• Synonyms: (3aS,4R,5R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol; [3aS-(3a¦Á,4¦Á,5¦Á,7a¦Á)]-3a,4,5,7a-Tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol; [3aS-(3aα,4α,5α,7aα)]-3a,4,5,7a-Tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol
• Molecular Formula: C₉H₁₄O₄
• Molecular Weight: 186.21
• CAS Registry Number: 130669-76-0
• SMILES: O1[C@@H]2/C=C\[C@@H](O)[C@@H](O)[C@@H]2OC1(C)C
• InChI: 1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1
• InChIKey: VCIXQRISGLSULF-WCTZXXKLSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 313.527°C at 760 mmHg (Cal.)
• Flash point: 143.416°C (Cal.)
• Refractive index: 1.527 (Cal.)