1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate

Base Information

• Chemical Name: 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate
• CAS No.: 61789-42-2
• Molecular Formula: C17H28O2
• Molecular Weight: 246.39
• European Community (EC) Number: 639-197-9
• Wikidata: Q105109949
• RXCUI: 2557382
• Mol file: 61789-42-2.mol

Synonyms:Cedryl acetate;Cedranyl acetate;Acetic acid, cedrol ester;8beta-H-Cedran-8-ol acetate;EINECS 201-036-1;8-beta-H-CEDRAN-8-OL, ACETATE;AI3-24206;SCHEMBL1532502;1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate;(3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate;1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)-;Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl acetate, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-;AKOS026750628;LS-2623

Chemical Property of 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate

Chemical Property:

• Vapor Pressure: 8.49E-05mmHg at 25°C
• Melting Point: 44-46 °C
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 291.7 °C at 760 mmHg
• Flash Point: 137 °C
• PSA: 26.30000
• Density: 1.02 g/cm³
• LogP: 4.18060
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2C13CCC(C(C3)C2(C)C)(C)OC(=O)C