1-Propanol

Base Information

• Chemical Name: 1-Propanol
• CAS No.: 71-23-8
• Molecular Formula: C3H8O
• Molecular Weight: 60.0959
• Hs Code.: 2905121000
• European Community (EC) Number: 200-746-9
• ICSC Number: 0553
• NSC Number: 30300
• UN Number: 1274
• UNII: 96F264O9SV
• DSSTox Substance ID: DTXSID2021739
• Nikkaji Number: J1.422B
• Wikipedia: 1-propanol,Propanol,Propan-1-ol
• Wikidata: Q14985,Q83037316
• RXCUI: 1362872
• Metabolomics Workbench ID: 3191
• ChEMBL ID: CHEMBL14687
• Mol file: 71-23-8.mol

Synonyms:1-Propanol;Alcohol, Propyl;n-Propanol;Propanol;Propyl Alcohol

Chemical Property of 1-Propanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -127 °C
• Refractive Index: n20/D 1.384(lit.)
• Boiling Point: 95.784 °C at 760 mmHg
• Flash Point: 15 °C
• PSA: 20.23000
• Density: 0.795 g/cm³
• LogP: 0.38870
• Water Solubility.: soluble
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 60.057514874
• Heavy Atom Count: 4
• Complexity: 7.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R41:; R67:
• Safety Statements: S16:; S24:; S26:; S39:; S7:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCO
• Recent ClinicalTrials: Choline Fenofibrate and Carotid Atherosclerosis in Patients With Type 2 Diabetes and Combined Dyslipidemia
• Recent EU Clinical Trials: Catheter Ablation Versus Antiarrhythmic Drug Therapy for Atrial Fibrillation Trial (CABANA)
• 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. The substance may cause effects on the central nervous system. Exposure at high levels could cause unconsciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 1-Propanol

There total 877 articles about 1-Propanol 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: 98.0%

dimethyl cis-but-2-ene-1,4-dioate (624-48-6) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 2-methoxytetrahydrofuran (13436-45-8) + 4-butanolide (96-48-0) + propan-1-ol (71-23-8) + 2-(4'-hydroxybutoxy)-tetrahydrofuran (64001-06-5) + Butane-1,4-diol (110-63-4) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; copper catalyst, T 4489, Sud-Chemie AG, Munich; at 150 - 280 ℃; under 187519 Torr; Neat liquid(s) and gas(es)/vapour(s);

Reference yield: 83.0%

4-benzyloxycarbonylaminobutyric acid propyl ester (1245613-12-0) → propan-1-ol (71-23-8) + 4-(benzyloxycarbonylamino)butyric acid (5105-78-2)

Guidance literature:

With methanol; Bacillus subtilis esterase; In hexane; at 37 ℃; for 0.5h; pH=7.4; Reagent/catalyst; Time; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/adsc.200900325

Reference yield: 79.1%

dimethyl cis-but-2-ene-1,4-dioate (624-48-6) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 2-methoxytetrahydrofuran (13436-45-8) + 4-butanolide (96-48-0) + propan-1-ol (71-23-8) + 1-methoxy-1,4-butanediol + 2-(4'-hydroxybutoxy)-tetrahydrofuran (64001-06-5) + 4-hydroxy-butanoic acid 4-hydroxybutyl ester + Butane-1,4-diol (110-63-4) + 4-hydroxybutyraldehyde (25714-71-0) + methyl 4-hydroxybutanoate (925-57-5) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; at 190 ℃; under 46504.7 Torr; Gas phase;

upstream raw materials:

methanol

ethanol

tetrachloromethane

1-thiopropane

Downstream raw materials:

2-propoxyethanol

3-propoxypropanol

Diethylstilbestrol dimethyl ether

(E)-4-[1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-phenol

Refernces

• 1、 Osipov,Klyuev. "Hydrogenation of unsaturated compounds in the presence of palladium-containing modified carbon nanofibers". . p. 928 - 931. Retrieved 2013.
• 2、 Ahlers, Stefan J.,Bentrup, Ursula,Linke, David,Kondratenko, Evgenii V.. "An Innovative Approach for Highly Selective Direct Conversion of CO2into Propanol using C2H4and H2". . p. 2631 - 2639. Retrieved 2014.
• 3、 Funakoshi, Masaki,Inoue, Hakuaki. "Hydrogenation of Propoinaldehyde by Nickel Catalysts Supported on Al2O3, SiO2, TiO2, Ta2O5, and Nb2O5". . p. 1205 - 1208. Retrieved 1987.
• 4、 Fan, Guangyin,Zhou, Yafen,Fu, Haiyan,Ye, Xiaoli,Li, Ruixiang,Chen, Hua,Li, Xianjun. "Highly efficient hydrogenation of methyl propionate to propanol over hydrous zirconia supported ruthenium". . p. 229 - 236. Retrieved 2011.
• 5、 Kepner et al.. "-". . p. 88. Retrieved 1954.
• 6、 Zhou, Ya-Fen,Wei, Juan,Fan, Guang-Yin,Fu, Hai-Yan,Li, Rui-Xiang,Chen, Hua,Li, Xian-Jun. "Efficient hydrogenation of methyl propionate over bnehmite-Supported Ru-Pt catalyst". . p. 1034 - 1035. Retrieved 2009.
• 7、 Pellow, Katy J.,Wingad, Richard L.,Wass, Duncan F.. "Towards the upgrading of fermentation broths to advanced biofuels: A water tolerant catalyst for the conversion of ethanol to isobutanol". . p. 5128 - 5134. Retrieved 2017.
• 8、 Bedford, Nicholas M.,Bhandari, Rohit,Slocik, Joseph M.,Seifert, Soenke,Naik, Rajesh R.,Knecht, Marc R.. "Peptide-modified dendrimers as templates for the production of highly reactive catalytic nanomaterials". . p. 4082 - 4091. Retrieved 2014.
• 9、 Lee,Gruber. "-". . p. 3775. Retrieved 1968.
• 10、 Berenblyum, A. S.,Mund, S. L.,Goranskaya, T. P.,Moiseev, I. I.. "HYDROGENATION CATALYSIS BY PALLADIUM CLUSTER COMPLEXES WITH PHENANTHROLINE". . p. 2041 - 2044. Retrieved 1981.