(1S,2R,3aR,8aS)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol

Base Information

• Chemical Name: (1S,2R,3aR,8aS)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
• CAS No.: 105772-90-5
• Molecular Formula: C15H26 O2
• Molecular Weight: 238.37
• DSSTox Substance ID: DTXSID00909726
• Nikkaji Number: J3.189.976A
• Wikidata: Q105301080

Synonyms:CAF 603;CAF-603

Chemical Property of (1S,2R,3aR,8aS)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol

Chemical Property:

• Vapor Pressure: 2.68E-05mmHg at 25°C
• Boiling Point: 319.9°Cat760mmHg
• Flash Point: 139.9°C
• PSA: 40.46000
• Density: 1.041g/cm³
• LogP: 2.89080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC2(CC(C(C2CC1)(C(C)C)O)O)C
• Isomeric SMILES: CC1=CC[C@@]2(C[C@H]([C@@]([C@H]2CC1)(C(C)C)O)O)C

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