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Propin
prop-1-yne · Propine · METHYLACETYLENE · 1-PROPYNE · ALLYLENE · PROPYNE · 2-Propyne · CH3CequivCH
Identifikatoren & physikalische Daten
| CAS No. | 74-99-7 |
|---|---|
| Summenformel | C3H4 |
| Durchschnittliche Molmasse | 40,06 g/mol |
| Monoisotopische Masse | 40,03130013 g/mol |
| SMILES | C#CC |
| InChIKey | MWWATHDPGQKSAR-UHFFFAOYSA-N |
| PubChem CID | 6335 |
| ChEMBL | CHEMBL116902 |
| ChEBI | CHEBI:48086 |
| EC No. | 200-828-4 |
| DTXSID | DTXSID0026387 |
| Lokaler Name | Propin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 3 |
| Formalladung | 0 |
| Komplexität | 26,5 |
| Stoffklassen | Other Classes -> Aliphatics, UnsaturatedFlammable agents - 4th degree |
| SpringerMaterials Properties | Dunham energy parameter |
| LogP (Verteilungskoeffizient) | log Kow = 0.94 |
| Geruch | Sweet odor |
| Dichte | 0.607 at 25 °C/4 °CDensity (liquid) at 250 deg K = 0.671 g/ cu mRelative density (water = 1): 0.70.607 (p> 1 atm)1.41(relative gas density)0.6070 |
| Viscosity | gas at 298 deg K: 8.4X10-3 mPa-sliquid at 233 deg K: 0.26 mPa-s |
| Color/Form | Colorless gas [Note: Shipped as a liquefied compressed gas]. |
| Löslichkeit | Insoluble (NIOSH, 2024)In water, 3,640 mg/L at 25 °CVery sol in alcoholsol in chloroform, benzeneSolubility in water, g/100ml: 0.36Soluble in alcohol, benzene, and chloroform (Weast, 1986)3,640 mg/L at 20 °C (quoted, Verschueren, 1983) |
| Flammpunkt | Flammable gasNA (Gas)-51 °C |
| Siedepunkt | -10 °F at 760 mmHg (NIOSH, 2024)-23.2 °C-23.3 °C @760 [mm Hg]-23.2 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes.... Can decompose explosively at 4.5 to 5.6 atmospheres of pressure. |
| Schmelzpunkt | -153 °F (NIOSH, 2024)-102.7 °C-102.7 °C (lit.) |
| Dampfdruck | 204.6 mm Hg ( −49.5 °C) |
| Brechungsindex | 1.3863 |
| Aggregatzustand | gas |
| Farbe | Colorless, flammable gas with a sweet odor |
| Henry-Konstante | 0.11 at 25 °C (Hine and Mookerjee, 1975) |
| InChI | 1S/C3H4/c1-3-2/h1H,2H3 |
| InChIKey | MWWATHDPGQKSAR-UHFFFAOYSA-N |
| SMILES | CC#C |
| CAS Datenbank | 74-99-7(CAS DataBase Reference) |
| NIST chemische Informationen | Propyne(74-99-7) |
| EPA chemische Informationen | Propyne (74-99-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH220 (98.8%): Extremely flammable gas [Danger Flammable gases]P203, P210, P222, P261, P271, P280, P304+P340, P319, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 346 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H220: Extremely flammable gas [Danger Flammable gases] |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propyne1-Propyne is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propyne 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: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24875Methyl acetylene: HSNO Approval: HSR003018 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-Propyne: Human health tier I assessment |
| DOT-Kennzeichnung | Flammable Gas |
| Brandgefahren | Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:Extremely flammable. Gas/air mixtures are explosive. |
| Brandpotenzial | Dangerous, when exposed to heat or flameInduced decomposition of the endothermic hydrocarbon leads to flame propagation in absence of air above minimum pressures of 3.4 and 2.1 bar at 20 and 120 °C, respectively.The gas is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for Methyl acetylene: |
| Gefahrenübersicht | High concentrations (42,000 ppm) cause anesthesia in experimental animals |
Anwendungen & Verwendung
Verwenden
Propyne is produced by thermal or catalytic pyrolysis of propene. Like acetylene, propyne is used as a welding torch fuel, as a specialty fuel, and chemical intermediate.