tert-Butanol 25-65-0 wiki

2.5 Decomposition: Toxic gases & vapors (e.g., carbon monoxide & isobutylene) may be released in a fire involving tert-butyl alcohol.

2.10 Odor Threshold: Odor threshold 219 mg/cu m (odor low) 219 mg/cu m (odor high)

2.12 Water Solubility: greater than or equal to 100 mg/mL at 70° F (NTP, 1992)

Molecular Weight：74.12g/mol
Molecular Formula：C₄H₁₀O
Compound Is Canonicalized：True
Exact Mass：0.5
XLogP3-AA：74.073164938
Monoisotopic Mass：74.073164938
Complexity：25.1
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：5
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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