Isopulegol
[CAS# 89-79-2]

Identification

• Classification: Food additive >> Food spice >> Artificial spice
• Name: Isopulegol
• Synonyms: 2-Isopropenyl-5-Methyl-Cyclohexan-1-Ol; 2-Isopropenyl-5-Methyl-1-Cyclohexanol; 5-Methyl-2-Prop-1-En-2-Yl-Cyclohexan-1-Ol
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• CAS Registry Number: 89-79-2
• EINECS: 201-940-6
• FEMA: 2962
• SMILES: CC1CC(C(CC1)C(=C)C)O
• InChI: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
• InChIKey: ZYTMANIQRDEHIO-UHFFFAOYSA-N

Properties

• Density: 0.91 (Expl.)
• Boiling point: 218°C (Expl.)
• Flash point: 78.333°C (Cal.)
• Refractive index: 1.468-1.477 (Expl.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012