IPA

ISOPROPYL ALCOHOL

Created: 1999-07-08
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count11
Aromatic Bond Count0
2D diagram of IPA

Chemical Component Summary

NameISOPROPYL ALCOHOL
Synonyms2-PROPANOL
Systematic Name (OpenEye OEToolkits)propan-2-ol
FormulaC3 H8 O
Molecular Weight60.095
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02OC(C)C
SMILESCACTVS3.352CC(C)O
SMILESOpenEye OEToolkits1.7.0CC(C)O
Canonical SMILESCACTVS3.352 CC(C)O
Canonical SMILESOpenEye OEToolkits1.7.0 CC(C)O
InChIInChI1.03 InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKeyInChI1.03 KFZMGEQAYNKOFK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02325 
NameIsopropyl alcohol
Groups
  • approved
  • investigational
DescriptionAn isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.
Synonyms
  • Isopropanol
  • Alcohol isopropílico
  • 2-Propanol
  • Isopropyl alcohol
Brand Names
  • Zylotrol-L
  • Isopropyl Alcohol Antiseptic Pad
  • Beapco Hand Sanitizer
  • GFA First Aid Kit Essentials - 33 Pieces
  • Marbeta 25 Kit
Categories
  • Alcohols
  • Antiseptics and Disinfectants
  • Compounds used in a research, industrial, or household setting
  • Dermatologicals
  • Miscellaneous Local Anti-infectives
ATC-CodeD08AX05
CAS number67-63-0

Related Resource References

Resource NameReference
PubChem 3776
ChEMBL CHEMBL582
ChEBI CHEBI:17824
CCDC/CSD ASULAD, BEPGOU, BAYJIX, BANROZ, AVEPEX, AVEPUN, BIMQIA, BOXVIU, BUDBUY, ABALEV, AJALAA, AHIJOS, ABITUC01, ABECIW, BUFHAN, BIVFAN, BIVFAN10, ANUTEK, CEPTAV, BUXQUI, BAJCEX, CAMDOJ, CIBLOQ, AXUJAE, COCGEG, CEXBAJ, CESVUU, AMIMCA, AYIXAH, ARAPAN
COD 7216778, 7217593