3alpha,4,5,6,7,7alpha-Hexahydro-4,7-Methano-1H-Inden-5-Ol 5-Acetate
[CAS# 2500-83-6]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: 3alpha,4,5,6,7,7alpha-Hexahydro-4,7-Methano-1H-Inden-5-Ol 5-Acetate
• Synonyms: 4,7-Methano-1H-Inden-5-Ol, 3A,4,5,6,7,7A-Hexahydro-, Acetate; 4,7-Methanoinden-5-Ol, 3A,4,5,6,7,7A-Hexahydro-, Acetate; Nsc142428
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 2500-83-6
• EINECS: 219-700-4
• SMILES: CC(OC3C2C1C(CC=C1)C(C2)C3)=O
• InChI: 1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
• InChIKey: BJLRAKFWOUAROE-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 258.415°C at 760 mmHg (Cal.)
• Flash point: 101.757°C (Cal.)