(S,S)-(+)-1,2-Dicyclohexyl-1,2-Ethanediol
[CAS# 120850-91-1]

Identification

• Name: (S,S)-(+)-1,2-Dicyclohexyl-1,2-Ethanediol
• Synonyms: Zinc00388522; Zinc00388519
• Molecular Formula: C₁₄H₁₄O₂
• Molecular Weight: 214.26
• CAS Registry Number: 120850-91-1 (120850-92-2)
• SMILES: [C@@H](O)([C@H](O)C1=CC=CC=C1)C2=CC=CC=C2
• InChI: 1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14+
• InChIKey: IHPDTPWNFBQHEB-OKILXGFUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 136°C (Expl.)
• Boiling point: 373.0±37.0°C at 760 mmHg (Cal.)
• Flash point: 179.8±21.1°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Brown et al.. End-to-end conformational communication through a synthetic purinergic receptor by ligand-induced helicity switching, Nature Chemistry, 2013