Propan-1-ol
PROPANOL · N-PROPANOL · PROPAN-1-OL · Propyl alcohol · N-PROPYL ALCOHOL · n-PrOH · Propanol-1 · 1-Propyl alcohol
Identifikatoren & physikalische Daten
| CAS No. | 71-23-8 |
|---|---|
| Summenformel | C3H8O |
| Durchschnittliche Molmasse | 60,1 g/mol |
| Monoisotopische Masse | 60,05751488 g/mol |
| SMILES | CCCO |
| InChIKey | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| PubChem CID | 1031 |
| ChEMBL | CHEMBL14687 |
| ChEBI | CHEBI:28831 |
| EC No. | 200-746-9 |
| DTXSID | DTXSID2021739 |
| Lokaler Name | Propan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 7,2 |
| Stoffklassen | Flammable agents - 3rd degree |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Solvents | Solvents -> Alcohols (<C12) |
| Kosmetika | Cosmetic ingredients (Propyl Alcohol) -> CIR (Cosmetic Ingredient Review)AntifoamingSolvent |
| SpringerMaterials Properties | Coriolis coupling |
| Duftstoffe | Fragrance Ingredient (Propyl alcohol) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow= 0.250.28 |
| Geruch | Similar to ethanolOdor perception threshold: <0.07-100 mg/cu-modor recognition threshold: 0.32-150 mg/cu m |
| Geschmack | CHARACTERISTIC RIPE, FRUITY FLAVORTaste detection: 7.50X10+3 ppm, purity of sample not specifiedBurning taste |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE -> FDA Substance added to food |
| Dichte | 0.803 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8053 @ 20 °C/4 °C% IN "SATURATED" AIR: 2.7 (25 °C)DENSITY OF "SATURATED" AIR: 1.028 (AIR= 1) @ 25 °C1 MG/L= 408 PPM & 1 PPM= 2.45 MG/CU M @ 25 °C, 760 MM HGCoefficient of cubical expansion: 9.56X10-7 at 0-94 °Ccritical density: 0.2734electrical conductivity: 2X10-3 mho/cm at 25 °Cspecific heat: 0.586 cal/g/deg C at 25 °Cwt/gal: 6.7 lb at 20 °CHeat capacity, liquid @ 25 °C = 141 J/mol-Kflash point, Tag open cup = 28.9 °Cautoignition temp = 371.1 °Cexplosive limit, in air = 2.2 vol% (lower), 14.0 vol% (upper)electrical conductivity @ 25 °C = 2X10-8 mhocritical density = 0.275 g/cu-cmRelative density (water = 1): 0.8 (20 °C)0.804 g/mL at 25 °C(lit.) |
| Schmelzpunkt | -127 °C(lit.) |
| Siedepunkt | 97 °C(lit.) |
| Dampfdichte | 2.1 (vs air) |
| Dampfdruck | 10 mm Hg ( 147 °C) |
| Brechungsindex | n20/D 1.384(lit.) |
| FEMA | 2928 | PROPYL ALCOHOL |
| Flammpunkt | 59 °F |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Löslichkeit | H2O: passes testsoluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
| Farbe | <10(APHA) |
| pH | 7 (200g/l, H2O, 20℃) |
| Geruch | Resembles that of ethyl alcohol. |
| Biologische Quelle | synthetic |
| Geruchsschwelle | 0.094ppm |
| Geruchsart | alcoholic |
| Explosionsgrenze | 2.1-19.2%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.39 J/(g·K)Cp(gas): 1.42 J/(g·K), at 25℃ |
| JECFA Number | 82 |
| Merck | 14,7842 |
| BRN | 1098242 |
| Henry-Konstante | 6.75 (static headspace-GC, Merk and Riederer, 1997) |
| Dielektrizitätskonstante | 20.1(25℃) |
| Stabilität | Stable. May form peroxides in contact with air. Incompatible with alkali metals, alkaline earths, aluminium, oxidizing agents, nitro compounds. Highly flammable. Vapour/air mixtures explosive. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTANTIFOAMING |
| InChI | 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 |
| InChIKey | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| SMILES | CCCO |
| LogP (Verteilungskoeffizient) | 0.33 |
| Oberflächenspannung | 23.7mN/m at 293.15K |
| CAS Datenbank | 71-23-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanol(71-23-8) |
| EPA chemische Informationen | 1-Propanol (71-23-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3950) of reports.H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 1-PropanolRegulation (EC) No 178/2002 (amended)1-Propanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 08-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/145861-Propanol: HSNO Approval: HSR001215 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - 1-Propanol: Environment tier I assessment |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with strong acids or strong oxidants. |
| Brandpotenzial | Dangerous upon exposure to heat or flamecan react vigorously with oxidizing materials.Ignites on contact with potassium-tert-butoxide. |
| Gesundheitsgefahren | Contact with eyes is extremely irritating and may cause burns. Vapors irritate nose and throat. In high concentrations, may cause nausea, dizziness, headache, and stupor. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
Anwendungen & Verwendung
Beschreibung
1-propanol is the compound with the hydrogen atom in the propane molecules being replaced by hydroxyl group. Because the hydroxyl group can substitute the hydrogen atoms contained in the carbons in the two terminals of carbon chain or middle carbon, thus generating two isomers, n-propyl alcohol and isopropyl alcohol.The chemical property of the 1-propanol is similar to that of ethanol. It is the byproduct during the process of the methanol synthesis from carbon monoxide and hydrogen. At room temperature and normal pressure, it appears as colorless transparent liquid with fragrance odor. In industry, it is prepared through the reaction between ethylene, carbon monoxide and hydrogen under high pressure and cobalt catalysis; alternatively through the hydration of propylene under the action of sulfate or through the catalytic hydrogenation of acetone. It is commonly used as a solvent with irritating effect on the eyes and mucosa. Inhalation of propyl alcohol steam can lead to dizziness, headache and vomiting, etc.
Occurrence
Reported found in the natural aromas of apple, cognac and rum; also formed during alcoholic fermentation. Also reported found in apple, apricot, banana, sweet cherry, papaya, pineapple, orange juice, lingonberry, cranberry, grapes, peas, pineapple, raspberry, strawberry, onion, leek, tomato, ginger, vinegar, many cheeses, butter, fatty fish, fish oil, cooked beef, mutton and pork, beer, several types of bread, pear brandy, Scotch blended whiskey, malt whiskey, cognac, armagnac, weinbrand rum, bourbon whiskey, Irish whiskey, rum, grape wines, cider, sherry, cocoa, tea, roasted filberts and peanuts, honey, soybean, oats, passion fruit, plum, beans, mushroom, apple and plum brandy, gin, rice, rice bran, quince, prickly pear, jackfruit, sake, buckwheat, loquat, wild rice, anise brandy, endive, truffle, arrack, clam, cape gooseberry and Chinese quince.
Verwenden
1-Propanol is used in making n-propyl acetate; and as a solvent for waxes, resins, vegetable oils, and flexographic printing ink. It is produced from the fermentation and spoilage of vegetable matter.
Herstellung & Synthese
synthetische
1-Propanol is produced commercially by the oxo process by reacting ethylene with carbon monoxide and hydrogen in the presence of a catalyst to give propionaldehyde, which is then hydrogenated. 1-Propanol [71-23-8] is the major product of catalytic reduction of propanal (→Propanols). Reduction is carried out most economically by a continuous vapor-phase process over a heterogeneous catalyst of supported reduced nickel, copper, and/or zinc and manganese metals.