Record Information
Version1.0
Creation date2015-10-09 22:30:17 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000373
FoodDB RecordFDB008282
Chemical Information
Name2-Propanol
DescriptionIsopropyl alcohol, also known as isopropanol, rubbing alcohol or IPA, 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). Isopropanol is the simplest example of a secondary alcohol, where the alcohol carbon is attached to two other carbons sometimes shown as (CH3)2CHOH. It is a structural isomer of 1-propanol. Isopropanol is a colorless, flammable liquid with a strong odor. It is miscible in water, ethanol, ether, and chloroform. Isoproanol is produced industrially via the hydrogenation of acetone or the hydration of propene with water. It is widely used as a solvent for coatings, as a cleaning fluid (for eyeglasses and electrical contacts) and as a solvent for household or personal care products such as antiseptics, disinfectants, and detergents. Isopropanol has an alcoholic, musty or woody aroma and a similar woody or musty taste. Isopropanol is an approved food additive and is used in cosmetics as an antifoaming agent, a perfuming agent and a viscosity controlling agent. It is frequently used as an extraction solvent in food preparation. Isopropanol is also naturally present in apple, cognac, roselle fruit and papaya (Carica papaya) and contributes to their distinct odor. Isopropanol and its metabolite, acetone, act as central nervous system (CNS) depressants (PMID: 24815348). It is oxidized to form acetone by alcohol dehydrogenase in the liver (PMID: 12726989). Unlike methanol or ethylene glycol poisoning, the metabolites of isopropanol are considerably less toxic, and treatment is largely supportive.
CAS Number67-63-0
Structure
Thumb
Synonyms
SynonymSource
1-Hydroxy-1-methylethylbiospider
1-methylethanolbiospider
1-Methylethyl alcoholbiospider
2-Hydroxypropanedb_source
2-Propanol, Isopropanolbiospider
2-Propyl alcoholbiospider
Alcohol, isopropylbiospider
AlcojelHMDB
AlkolaveHMDB
Avantindb_source
AvantineHMDB
Bowsteraldb_source
Dimethylcarbinolbiospider
Ethyl, 1-hydroxy-1-methyl-biospider
FEMA 2929db_source
HartosolHMDB
I-PropanolChEBI
I-PropylalkoholChEBI
Isopropanoldb_source
Isopropryl alcoholbiospider
Isopropyl alcoholbiospider
IsopropylalkoholChEBI
LavacoHMDB
n-Propan-2-olbiospider
PetroholHMDB
Propan-2-olbiospider
Propane, 2-hydroxy-biospider
Propanol-2biospider
Sec-propanolbiospider
Sec-propyl alcoholbiospider
TakineocolHMDB
Chemical FormulaC3H8O
IUPAC namepropan-2-ol
InChI IdentifierInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI KeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
Isomeric SMILESCC(C)O
Average Molecular Weight60.095
Monoisotopic Molecular Weight60.057514878
Chemical Taxonomy
Description 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).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.05HANSCH,C ET AL. (1995)
Experimental Water Solubility1000 mg/mL at 25 oCRIDDICK,JA et al. (1986)
Melting PointMp -88.5°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Glentham GK9172
Toronto Research Chemicals I822750