Grandlure
[CAS# 11104-05-5]

Identification

• Name: Grandlure
• Synonyms: 2-(3,3-Dimethylcyclohexylidene)Acetaldehyde; (2Z)-2-(3,3-Dimethylcyclohexylidene)Ethanol; 2-[(1R,2S)-1-Methyl-2-Prop-1-En-2-Ylcyclobutyl]Ethanol; (2E)-2-(3,3-Dimethylcyclohexylidene)Acetaldehyde; (2Z)-2-(3,3-Dimethylcyclohexylidene)Ethanol; 2-[(1R,2S)-2-Isopropenyl-1-Methyl-Cyclobutyl]Ethanol
• Molecular Formula: C₃₀H₅₂O₃
• Molecular Weight: 460.74
• CAS Registry Number: 11104-05-5
• SMILES: [C@@]1([C@@H](CC1)C(=C)C)(CCO)C.CC2(C\C(CCC2)=C\C=O)C.C(O)\C=C3/CC(CCC3)(C)C
• InChI: 1S/2C10H18O.C10H16O/c1-8(2)9-4-5-10(9,3)6-7-11;2*1-10(2)6-3-4-9(8-10)5-7-11/h9,11H,1,4-7H2,2-3H3;5,11H,3-4,6-8H2,1-2H3;5,7H,3-4,6,8H2,1-2H3/b;9-5-;9-5+/t9-,10+;;/m0../s1
• InChIKey: KNLVVBOPLNECGY-PMHSJTGRSA-N

Properties

• Boiling point: 212.7°C at 760 mmHg (Cal.)
• Flash point: 90°C (Cal.)