3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Base Information

• Chemical Name: 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
• CAS No.: 8076-09-3
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.2005
• European Community (EC) Number: 232-517-4
• DSSTox Substance ID: DTXSID801001473
• Mol file: 8076-09-3.mol

Synonyms:8076-09-3;EINECS 232-517-4;3a,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;SCHEMBL10099739;DTXSID801001473;3a,4,7,7a-Tetrahydro-3a,5(or 3a,6)-dimethylisobenzofuran-1,3-dione

Chemical Property of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Chemical Property:

• Vapor Pressure: 0.00112mmHg at 25°C
• Boiling Point: 300.5°C at 760 mmHg
• Flash Point: 137.9°C
• Density: 1.195g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CCC2(C(C1)C(=O)OC2=O)C