Compound: Isopropyl alcohol
SMILES: OC(C)C
InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
Synonyms: Isopropyl alcohol, isopropanol, 2-Propanol, Propan-2-ol, 67-63-0, 2-Hydroxypropane, Dimethylcarbinol, sec-Propyl alcohol, Alkolave, Avantine, Hartosol, Petrohol, i-Propanol, 1-Methylethanol, Takineocol, Alcojel, Avantin, 2-Propyl alcohol, Alcolo, Isohol, Lavacol, Lutosol, Propol, Alcosolve 2, Imsol A, Alcosolve, Arquad DMCB, Spectrar, 1-Methylethyl alcohol, i-Propylalkohol, Combi-schutz, n-Propan-2-ol, Iso-propylalkohol, Isopropyl alcohol, rubbing, Alcool isopropilico, Alcool isopropylique, Visco 1152, sec-Propanol, Sterisol hand disinfectant, Iso-propyl alcohol, FEMA No. 2929, Alcohol, rubbing, Alcohol,isopropyl, FEMA Number 2929, Alcohol, Isopropyl, Isopropylalkohol, DTXSID7020762, isopropy alcohol, 2-propanolum, NSC-135801, ZURAGARD, AI3-01636, Isopropyl alcohol (USP), Isopropyl alcohol [USP], ND2M416302, DTXCID50762, CHEBI:17824, NSC135801, SOLUPREP COMPONENT ISOPROPYL ALCOHOL, dimethyl carbinol, 2 Propanol, freshnails, isopropyl, sparkle, Omnitrenidol, Protection, 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Propan-2-ol; 2-Propanol, MFCD00075157, EINECS 200-661-7, UN1219, ISOPROPYL ALCOHOL(1,1,1,3,3,3-D6), NSC 135801, BRN 0635639, ISOPROPYL ALCOHOL(1,1,1,2,3,3,3-D7), isoproylalcohol, Virahol, i-propylalcohol, Lavaco, 2propanol, 2-propylalcohol, isoproyl alcohol, Isopropyl-alcohol, propane-2ol, propan-2ol, UNII-ND2M416302, Isopropryl alcohol, propane-2-ol, 2 -propanol, 2- propanol, propan 2-ol, iso-PrOH, 2-Propanol solution, i-PrOH, (propan-2-ol), Isopro (TN), Hibistat (Salt/Mix), Isopropanol, anhydrous, Isopropyl alcohol CRS, i-Pr-OH, Propane, 2-hydroxy-, 2-Propanol, Ph Eur, iso-C3H7OH, Isopropanol (JP18), Isopropanol ACS reagent, 2-Propanol, GC Grade, isopropyl alcohol (ipa), 2-Propanol, for HPLC, ISOPROPANOL [JAN], 2-Propanol, ACS reagent, 2-Propanol, HPLC Grade, SCHEMBL385, CHEMBL582, Isopropyl alcohol HPLC/UV, 2-Propanol, 99.5%, EC 200-661-7, SCHEMBL2464, IPS 1, Isopropanol, 70% in water, Isopropanol, 70% in H2O, SCHEMBL15676, SCHEMBL28931, SCHEMBL28932, SCHEMBL29414, SCHEMBL45145, ISOPROPANOL [WHO-DD], 4-01-00-01461 (Beilstein Handbook Reference), Isopropyl alcohol (manufacture strong-acid process), SCHEMBL210425, SCHEMBL212534, 2-PROPANOL [USP-RS], 2-PROPANOL [WHO-IP], ISOPROPYL ALCOHOL [II], ISOPROPYL ALCOHOL [MI], Isopropanol, 99.5% anhydrous, SCHEMBL2890362, SCHEMBL3135052, SCHEMBL3518963, SCHEMBL4285665, SCHEMBL6061107, WLN: QY1&1, 2-Propanol, analytical standard, Isopropanol or isopropyl alcohol, ISOPROPYL ALCOHOL [FCC], 2-Propanol, LR, >=99%, ISOPROPYL ALCOHOL [FHFI], ISOPROPYL ALCOHOL [HSDB], ISOPROPYL ALCOHOL [IARC], BDBM36154, ALCOHOL,ISOPROPYL [VANDF], Isopropyl alcohol (manufacturing-strong acid process only), ISOPROPYL ALCOHOL [VANDF], 2-Propanol, anhydrous, 99.5%, ISOPROPYL ALCOHOL [MART.], 2-Propanol, AR, >=99.5%, STR00089, 2-Propanol, for HPLC, 99.5%, 2-Propanol, for HPLC, 99.9%, 2-Propanol, technical grade, 95%, Tox21_111039, Tox21_202475, 2-Propanol, 99.5%, HPLC grade, 2-PROPANOLUM [WHO-IP LATIN], MSK000967, 2-Propanol, histological grade, 99%, AKOS000121012, Isopropyl alcohol [for HPLC Solvent], 2-Propanol, for HPLC, >=99.8%, DB02325, ISOPROPYL ALCOHOL (ISOPROPANOL), ISOPROPYL ALCOHOL [ORANGE BOOK], UN 1219, ISOPROPYL ALCOHOL [EP MONOGRAPH], ACETONE IMPURITY B [EP IMPURITY], ISOPROPYL ALCOHOL [USP MONOGRAPH], MSK000967-1000M, NCGC00260024-01, 2-Propanol, 99.95% (LC-MS Grade), 2-Propanol, UV HPLC gradient, 99.8%, 8003-15-4, Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required), Isopropyl alcohol [for Spectrophotometry], Isopropyl alcohol, natural, >=98%, FG, 2-Propanol 100 microg/mL in Acetonitrile, DURAPREP COMPONENT ISOPROPYL ALCOHOL, Isopropyl alcohol, >=99.7%, FCC, FG, 2-Propanol, SAJ first grade, >=99.0%, Isopropanol ACS reagent, benzene < 20 ppm, 2-Propanol, JIS special grade, >=99.5%, 2-Propanol, Laboratory Reagent, >=99.5%, 2-Propanol, meets USP testing specifications, CHLORAPREP COMPONENT ISOPROPYL ALCOHOL, I0163, I0164, I0277, NS00002384, EN300-21633, Isopropanol, 99.5% anhydrous, 50 ppm water, C01845, D00137, Q16392, R00276, Isopropanol, 99.5% anhydrous (toluene < 1ppm), F035913, InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H, SR-01000944474, Isopropyl alcohol Solution in Methanol, 1000ug/mL, SR-01000944474-1, 2-Propanol, ACS spectrophotometric grade, >=99.5%, 2-Propanol, p.a., ACS reagent, reag. ISO, 99.8%, 2-Propanol, reag. ISO, UV HPLC spectroscopic, 99.7%, Isopropyl alcohol (Isopropanol), 99.8% - [ALLCHEM], 2-Propanol, BioReagent, for molecular biology, >=99.5%, 2-Propanol, electronic grade, 99.999% trace metals basis, 2-Propanol, puriss. p.a., ACS reagent, >=99.8% (GC), 2-Propanol, Vetec(TM) reagent grade, anhydrous, >=99.5%, 2-Propanol, BioUltra, for molecular biology, >=99.5% (GC), Isopropanol or isopropyl alcohol [UN1219]  [Flammable liquid], Isopropyl alcohol, EuropePharmacopoeia (EP) Reference Standard, Isopropyl alcohol, meets EP, BP, USP testing specifications, 2-Propanol, >=99.7%, suitable for absorption spectrum analysis, 2-Propanol, United States Pharmacopeia (USP) Reference Standard, 2-Propanol, Pharmaceutical Secondary Standard; Certified Reference Material, 2-Propanol, semiconductor grade MOS PURANAL(TM) (Honeywell 17930), 2-Propanol, semiconductor grade ULSI PURANAL(TM) (Honeywell 17022), 2-Propanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17604), 2-Propanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC), 2-Propanol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), 1344575-38-7, 2-Propanol-2-d1, Isopropanol-2-d1, 3972-26-7, 492841_ALDRICH, CTK8F4519, AG-F-40358, Isopropyl-1-dalcohol (6CI,7CI,8CI);2-Deuterio-2-propanol;2-Deuterioisopropanol;2-Propanol-2-d1;Propan-2-d-2-ol;, Isopropanol-1,1,1,3,3,3-d6, 2-Propanol-1,1,1,3,3,3-d6, Isopropyl-1,1,1,3,3,3-d6 alcohol, 392898_ALDRICH, 3976-29-2
Theoretical properties:
molecular_formula: C3H8O
molecular_weight: 60.10 g/mol
exact_mass: 60.057514874 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Pleasant odor
boiling_point: 180.5 °F at 760 mmHg (NTP, 1992)
melting_point: -127.3 °F (NTP, 1992)
density: 0.785 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
flash_point: 53 °F (NTP, 1992)
vapor_pressure: 33 mmHg at 68 °F ; 40 mmHg at 74.8 °F (NTP, 1992)
Descriptions:
{"pubchem": "Propan-2-ol is a secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. It has a role as a protic solvent. It is a secondary fatty alcohol and a secondary alcohol.", "chebi": "A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.", "chembl": "ISOPROPYL ALCOHOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Isopropyl alcohol (IUPAC name propan-2-ol and also called isopropanol or 2-propanol, commonly abbreviated as IPA) is a colorless, flammable, organic compound with a pungent odor.\nIsopropyl alcohol, an organic polar molecule, is miscible in water, ethanol, and chloroform, demonstrating its ability to dissolve a wide range of substances including ethyl cellulose, polyvinyl butyral, oils, alkaloids, and natural resins. Notably, it is not miscible with salt solutions and can be separated by adding sodium chloride in a process known as salting out. It forms an azeotrope with water, resulting in a boiling point of 80.37 \u00b0C and is characterized by its slightly bitter taste. Isopropyl alcohol becomes viscous at lower temperatures, freezing at \u221289.5 \u00b0C, and has significant ultraviolet-visible absorbance at 205 nm. Chemically, it can be oxidized to acetone or undergo various reactions to form compounds such as isopropoxides, e.g. aluminium isopropoxide. As an isopropyl group linked to a hydroxyl group (chemical formula (CH3)2CHOH) it is the simplest example of a secondary alcohol, where the alcohol carbon atom is attached to two other carbon atoms. It is a structural isomer of propan-1-ol and ethyl methyl ether, all of which share the formula C3H8O.\nIt was first synthesized in 1853 by Alexander William Williamson and later produced for cordite preparation. It is produced through hydration of propene or hydrogenation of acetone, with modern processes achieving anhydrous alcohol through azeotropic distillation.\nIsopropyl alcohol serves in medical settings as a rubbing alcohol and hand sanitizer, and in industrial and household applications as a solvent. It is a common ingredient in products such as antiseptics, disinfectants, and detergents. More than a million tonnes are produced worldwide annually. Isopropyl alcohol poses safety risks due to its flammability and potential for peroxide formation. Its ingestion or absorption leads to toxic effects including central nervous system depression and coma."}