1-Methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate

Base Information

• Chemical Name: 1-Methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate
• CAS No.: 93805-75-5
• Molecular Formula: C21H28 O2
• Molecular Weight: 312.44582
• European Community (EC) Number: 298-559-0
• Nikkaji Number: J280.677K
• Mol file: 93805-75-5.mol

Synonyms:93805-75-5;EINECS 298-559-0;1-Methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate;JLOVXOSAZQUCOT-OUKQBFOZSA-N;NS00064953

Chemical Property of 1-Methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate

Chemical Property:

• Vapor Pressure: 1.15E-06mmHg at 25°C
• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 119.1°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 5.09950
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 312.208930132
• Heavy Atom Count: 23
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1C=CC(C)OC(=O)CC2=CC=CC=C2)(C)C
• Isomeric SMILES: CC1=CCCC(C1/C=C/C(C)OC(=O)CC2=CC=CC=C2)(C)C

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