1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate

Base Information

• Chemical Name: 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
• CAS No.: 137085-37-1
• Molecular Formula: C16H26 O2
• Molecular Weight: 250.38
• Mol file: 137085-37-1.mol

Synonyms:Methyl beta-ionyl acetate;1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate;1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3-acetate;137085-37-1;SCHEMBL14690583

Chemical Property of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 102.9°C
• PSA: 26.30000
• Density: 0.963g/cm³
• LogP: 4.41090
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

98%min ^*data from raw suppliers

METHYL BETA IONYL ACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CC1=C(CCCC1(C)C)C)OC(=O)C
• Isomeric SMILES: CC[C@@H](/C=C/C1=C(CCCC1(C)C)C)OC(=O)C