Isopropyl Alcohol

Base Information

• Chemical Name: Isopropyl Alcohol
• CAS No.: 67-63-0
• Deprecated CAS: 8013-70-5
• Molecular Formula: C3H8O
• Molecular Weight: 60.0959
• Hs Code.: Oral rat LD50: 5045 mg/kg
• European Community (EC) Number: 200-661-7,686-091-3,694-174-0
• ICSC Number: 0554
• NSC Number: 135801
• UN Number: 1219
• UNII: ND2M416302
• DSSTox Substance ID: DTXSID7020762
• Nikkaji Number: J1.411G
• Wikipedia: Isopropyl alcohol
• Wikidata: Q16392,Q83065364
• NCI Thesaurus Code: C602
• RXCUI: 797541
• Metabolomics Workbench ID: 37471
• ChEMBL ID: CHEMBL582
• Mol file: 67-63-0.mol

Synonyms:2 Propanol;2-Propanol;Alcohol, Isopropyl;Alcohol, Rubbing;Isopropanol;Isopropyl Alcohol;Rubbing Alcohol

Chemical Property of Isopropyl Alcohol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 33 mm Hg ( 20 °C)
• Melting Point: -89.5 °C
• Refractive Index: n20/D 1.377(lit.)
• Boiling Point: 72.993 °C at 760 mmHg
• PKA: 17.1(at 25℃)
• Flash Point: 11.667 °C
• PSA: 20.23000
• Density: 0.791 g/cm³
• LogP: 0.38710
• Storage Temp.: Flammables area
• Solubility.: water: soluble (completely)
• Water Solubility.: miscible
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 60.057514874
• Heavy Atom Count: 4
• Complexity: 10.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.5%, ^*data from raw suppliers

2-Propanol puriss. p.a., ACS reagent, ≥99.8% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F,Xn
• Hazard Codes: Xi,F,Xn
• Statements: 11-36-67-40-10-36/38
• Safety Statements: 7-16-24/25-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC(C)O
• Recent ClinicalTrials: Inhaled Isopropyl Alcohol Versus Placebo to Manage Nausea at Electronic Dance Music Festivals
• Recent NIPH Clinical Trials: Blood Culture Contamination: Isopropyl alcohol compared with Isopropyl alcohol plus Povidone-Iodine as Skin Preparation before Blood Culture.
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause unconsciousness.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dryness and cracking.
• description: Isopropanol is also known as isopropyl alcohol. It is the simplest secondary alcohol and is one of the isomers of n-propanol. It is a kind of flammable liquid which is colorless with strong smell being similar to the smell of the mixture of ethanol and acetone. It is soluble in water, alcohol, ether, benzene, chloroform and most organic solvents and is miscible with water, alcohol, ether and can form azeotrope with water. Density (specific gravity): 0.7863g/cm3, melting point:-88.5 ℃, boiling point: 82.5 ℃, flash point: 11.7 ℃, ignition point: 460 ℃, refractive index: 1.3772. Its vapor can cause slight irritation on the eyes, nose and throat; it can be absorbed through the skin. Its vapor can form explosive mixture with air. Its explosion limit is 2.0% to 12% (by volume). It belongs to a moderate explosive hazardous material and flammable, low toxic substance. The toxicity of its vapors is twice as high as ethanol while oral administration causes the opposite toxicity. Figure 1 is the structural formula of isopropanol. In many cases, isopropanol can substitute ethanol as the solvent and is a good solvent and chemical raw materials which can be applied to not only painting, pharmaceuticals, pesticides, cosmetics and other industries, but also the production of acetone, isopropyl ester, isopropylamine (the raw material for production of atrazine), di-isopropyl ether, isopropyl acetate and thymol crystal etc. It was the first product which is made from the petroleum raw material in the history of the development of petrochemicals.
• Uses: Isopropyl alcohol is an important chemical products and raw materials. It is mainly applied to various fields including pharmaceutical, cosmetics, plastics, fragrances, paint as well as being used as the dehydrating agent and cleaning agent in and electronics industry. It can also be used as the reagent for determination of barium, calcium, magnesium, nickel, potassium, sodium and strontium. It can also be used as the reference material of chromatographic analysis. In the manufacturing industry of circuit board, it is used as a cleaning agent, and the production of PCB holes for conductivity. Many people find that it can not only clean the motherboard with excellent performance, but also get the best results. In addition, it is used for other electronic devices, including cleaning disc cartridge, floppy disk drives, magnetic tape, and the laser tip of the disc driver of CD or DVD player. Isopropyl alcohol can also be used as the solvent of oil and gel as well as for the manufacture of fishmeal feed concentrate. Low-quality isopropanol can also be used in automotive fuels. As the raw material of production of acetone, the usage amount of isopropanol is reducing. There are several compounds which are synthesized from isopropanol, such as isopropyl ester, methyl isobutyl ketone, di-isopropylamine, di-isopropyl ether, isopropyl acetate, thymol and many kinds of esters. We can supply isopropanol of different quality depending on the end use it. The conventional quality of anhydrous isopropanol is more than 99%, while the special grade isopropanol content is higher than 99.8% (for flavors and drugs). Isopropyl alcohol is used in the production of acetone, isopropyl halides, glycerin, and aluminum isopropoxide; employed widely as an industrial solvent for paints, polishes, and insecticides; as an antiseptic (rubbing alcohol); and in organic synthesis for introducing the isopropyl or isopropoxy group into the molecule. Being a common laboratory solvent like methanol, the exposure risks are always high; however, its toxicity is comparatively low.
• Description: Isopropanol is a clear, colorless alcohol that is used in the production of acetone and as a solvent in the manufacture of various industrial and commercial products. It is used by the public for a number of different purposes and is commonly known as rubbing alcohol. It is flammable and miscible with both water and many different organic solvents. Isopropanol can be prepared via three different methods: indirect hydration of propylene (the ‘strong acid’ method), direct hydration of propylene, and catalytic hydrogenation of acetone.

Technology Process of Isopropyl Alcohol

There total 927 articles about Isopropyl Alcohol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

piperazine (110-85-0) + titanium(IV) isopropylate (546-68-9) + dibenzo[b,f][1,4]thiazepin-11-one (3159-07-7) → 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine (5747-48-8) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

at 170 ℃; for 5h; Heating / reflux;

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + methane (34557-54-5,27936-85-2) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + ethane (74-84-0) + propane (74-98-6) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Cu/Co/Al; at 260 - 320 ℃; under 45004.5 - 75007.5 Torr; Conversion of starting material;

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Zn/Cr/K; at 350 - 420 ℃; under 75007.5 - 135014 Torr; Conversion of starting material;

upstream raw materials:

2-iodo-propane

Iodoethanol

dimethyl zinc(II)

2-methyl-2,4-pentanediol

Downstream raw materials:

1-isopropoxy-2-methyl 2-propanol

1-ethoxy-3-isopropoxy-2-propanol

1,3-diisopropyl glycerol

isopropyl acetoacetate

Refernces

• 1、 García-López, Elisa I.,Marcì, Giuseppe,Pomilla, Francesca R.,Liotta, Leonarda F.,Megna, Bartolomeo,Paganini, Maria C.,Gionco, Chiara,Giamello, Elio,Palmisano, Leonardo. "Improved (photo)catalytic propene hydration in a gas/solid system by using heteropolyacid/oxide composites: Electron paramagnetic resonance, acidity, and role of water". . p. 1900 - 1907. Retrieved 2017.
• 2、 Trovarelli, Alessandro,Dolcetti, Giuliano,Leitenburg, Carla de,Kaspar, Jan,Finetti, Paola,Santoni, Antonino. "Rh-CeO2 Interaction induced by High-temperature Reduction. Characterization and Catalytic Behaviour in Transient and Continuous Conditions". . p. 1311 - 1320. Retrieved 1992.
• 3、 Xu, Feng,Bell, Stephen G.,Lednik, Jaka,Insley, Andrew,Rao, Zihe,Wong, Luet-Lok. "The heme monooxygenase cytochrome P450cam can be engineered to oxidize ethane to ethanol". . p. 4029 - 4032. Retrieved 2005.
• 4、 Sedghi, Roya,Asadi, Shima,Heidari, Bahareh,Heravi, Majid M.. "TiO2/polymeric supported silver nanoparticles applied as superior nanocatalyst in reduction reactions". . p. 65 - 73. Retrieved 2017.
• 5、 Asai,Haruda. "-". . . Retrieved 1949.
• 6、 Samuel, Blassan,Pathak, Madhvesh. "Synthesis, Characterization, Stability and Cytotoxic Evaluation of Novel Titanium(IV) Complexes of 8-Hydroxyquinoline and 2-Hydroxy-N-phenylbenzylamine Derivatives". . p. 683 - 689. Retrieved 2020.
• 7、 Clingman,Hammen. "-". . p. 323. Retrieved 1960.
• 8、 Güveli, ?ükriye,Bal-Demirci, Tülay,ülküseven, Bahri,?zdemir, NamIk. "Supramolecular nickel complex based on thiosemicarbazone. Synthesis, transfer hydrogenation and unexpected thermal behavior". . p. 188 - 196. Retrieved 2016.
• 9、 Mori, Hiroshi,Mizuno, Noritaka,Shirouzu, Toshihiro,Kagawa, Shuichi,Iwamoto, Masakazu. "Hydration of Propene over Proton- and Metal Ion-Exchanged Zeolite Catalysts at Atmospheric Pressure". . p. 2681 - 2685. Retrieved 1991.
• 10、 Sharonov,Ulitin,Lukin. "An adsorption calorimetry study of the adsorption of acetone on raney nickel under conditions of liquid-phase hydrogenation". . p. S116-S121. Retrieved 2006.