1-Penten-2-ol, 4,4-dimethyl-(9CI)

Base Information

• Chemical Name: 1-Penten-2-ol, 4,4-dimethyl-(9CI)
• CAS No.: 59138-75-9
• Molecular Formula: C7H14O
• Molecular Weight: 114.18546
• DSSTox Substance ID: DTXSID10444219
• Wikidata: Q82262289
• Mol file: 59138-75-9.mol

Synonyms:1-Penten-2-ol, 4,4-dimethyl- (9CI);59138-75-9;SCHEMBL2757916;DTXSID10444219

Chemical Property of 1-Penten-2-ol, 4,4-dimethyl-(9CI)

Chemical Property:

• Boiling Point: 146.3±13.0 °C(Predicted)
• PKA: 10.80±0.50(Predicted)
• PSA: 20.23000
• Density: 0.836±0.06 g/cm3(Predicted)
• LogP: 2.49430
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 87.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(=C)O