Common NamePropan-2-ol
DescriptionIsopropyl alcohol, also known as isopropanol or 1-methylethanol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). It is used in the manufacture of acetone and its derivatives and as a solvent. Isopropyl alcohol exists in all living species, ranging from bacteria to humans. Isopropyl alcohol is an alcohol, bitter, and musty tasting compound. Isopropyl alcohol has also been detected, but not quantified in several different foods, such as papaya, roselles, apples, sweet cherries, and allium (onion). Isopropyl alcohol is an isomer of 1-propanol and is considered as a potentially toxic compound. Topically, it is used as an antiseptic. It is a colorless liquid having disinfectant properties.
Structure
Molecular FormulaC3H8O
Average Mass60.09500
Monoisotopic Mass60.05751
IUPAC Namepropan-2-ol
Traditional NameIsopropyl alcohol
CAS Registry Number67-63-0
SMILESCC(C)O
InChI IdentifierInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI KeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
CHEBI IDCHEBI:17824
HMDB IDHMDB0000863
StateNot Available
Water Solubility3.78e+02 g/l
logP0.04
logS0.80
pKa (Strongest Acidic)17.26
pKa (Strongest Basic)-1.81
Hydrogen Acceptor Count1
Hydrogen Donor Count1
Polar Surface Area20.23 Ų
Rotatable Bond Count0
Physiological Charge0
Formal Charge0
Refractivity17.43 m³·mol⁻¹
Polarizability7.14

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT