1,3-Benzodioxole, 3a,7a-dihydro-2,2-dimethyl-, cis-

Base Information

• Chemical Name: 1,3-Benzodioxole, 3a,7a-dihydro-2,2-dimethyl-, cis-
• CAS No.: 80409-75-2
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• DSSTox Substance ID: DTXSID50450753
• Nikkaji Number: J738.336C
• Wikidata: Q82270567
• Mol file: 80409-75-2.mol

Synonyms:80409-75-2;(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole;SCHEMBL13637065;DTXSID50450753;2,2-Dimethyl-3aalpha,7aalpha-dihydro-1,3-benzodioxole;InChI=1/C9H12O2/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-8H,1-2H3/t7-,8

Chemical Property of 1,3-Benzodioxole, 3a,7a-dihydro-2,2-dimethyl-, cis-

Chemical Property:

• Boiling Point: 70 °C(Press: 5 Torr)
• PSA: 18.46000
• Density: 1.029±0.06 g/cm3(Predicted)
• LogP: 1.63250
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2C=CC=CC2O1)C
• Isomeric SMILES: CC1(O[C@@H]2C=CC=C[C@@H]2O1)C
• Uses: rel-(3aR,7aS)-3a,7a-Dihydro-2,2-dimethyl-1,3-benzodioxole is an intermediate in the synthesis of Conduritol A (C645000). Conduritol A (cas# 526-87-4) is a compound useful in organic synthesis.