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Nonan-1-thiol
nonane-1-thiol · Nonylthiol · MERCAPTAN C9 · 1-NONANETHIOL · Nonan-1-thiol · NONYL MERCAPTAN · 1-mercaptononane · 9-Mercaptononane
Identifikatoren & physikalische Daten
| CAS No. | 1455-21-6 |
|---|---|
| Summenformel | C9H20S |
| Durchschnittliche Molmasse | 160,32 g/mol |
| Monoisotopische Masse | 160,12857181 g/mol |
| SMILES | CCCCCCCCCS |
| InChIKey | ZVEZMVFBMOOHAT-UHFFFAOYSA-N |
| PubChem CID | 15077 |
| EC No. | 215-936-7 |
| DTXSID | DTXSID9061704 |
| Lokaler Name | Nonan-1-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 52 |
| Dichte | Relative density (water = 1): 0.840.842 g/mL at 25 °C (lit.) |
| Löslichkeit | Insoluble (NIOSH, 2024)Solubility in water: very poorChloroform (Sparingly), Methanol (Slightly) |
| Flammpunkt | 78 °C78 °C c.c.174 °F |
| Siedepunkt | 220 °C220 °C (lit.) |
| Schmelzpunkt | -20 °C-20.1°C |
| Dampfdichte | Relative vapor density (air = 1): 5.5 |
| Dampfdruck | 0.13 [mmHg] |
| Physical Description | 1-nonanethiol is a colorless liquid with a bad smell. Mp: -21 °Cbp: 220 °C. Density: 0.840 g cm-3 at 25 °C. Combustible liquid.Colorless liquid with a strong, obnoxious odor[CHEMINFO]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. |
| Kovats Retention Index | 1218121912331470 |
| Brechungsindex | n20/D 1.455(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 10.52±0.10(Predicted) |
| Farbe | Colourless |
| BRN | 1733631 |
| Henry-Konstante | 5.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| Stabilität | Air Sensitive |
| InChI | 1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 |
| InChIKey | ZVEZMVFBMOOHAT-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCS |
| LogP (Verteilungskoeffizient) | 5.008 (est) |
| CAS Datenbank | 1455-21-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Nonanethiol(1455-21-6) |
| EPA chemische Informationen | 1-Nonanethiol (1455-21-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.There are 4 notifications provided by 44 of 45 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | The 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.) |
| DOT-Kennzeichnung | Flammable Liquid Poison |
| Brandgefahren | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)Combustible. Above 78 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for 1-Nonanethiol:Exposure Routes: Inhalation, ingestion, skin and/or eye contactSymptoms: Irritation eyes, skin, nose, throatlassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomitingTarget Organs: Eyes, skin, respiratory system, blood, central nervous system (NIOSH, 2024) |
| Gefahrenübersicht | See THIOLS |
| DOT-Nummer und Handbuch | 1228 131 |
| Reaktive Gruppe | Sulfides, Organic |
| UN-Einstufung | UN Hazard Class: 9 |
| Reactivity Profile | 1-NONANETHIOL is incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. React with hydrides to form flammable H2 gasreacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition. |
| Chemical Dangers | Reacts violently with oxidants, reducing agents, strong acids and strong bases. Decomposes on heating. This produces toxic and corrosive fumes including hydrogen sulfide and sulfur oxides. |
| Flammable Limits | Combustible Liquid |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Brandbekämpfung | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. (ERG, 2024)Use water spray, powder, foam, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Do NOT induce vomiting. Give one or two glasses of water to drink. |
| Erste Hilfe | Excerpt from NIOSH Pocket Guide for 1-Nonanethiol:Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.Skin: SOAP WASH - If this chemical contacts the skin, wash the contaminated skin with soap and water.Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)(General first aid procedures)Breathing: Respiratory supportSwallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately. |
| Sichere Lagerung | Separated from strong oxidants, strong bases and strong acids. |
| Freisetung ohne Brand | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors.SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material.LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024) |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames. Above 78 °C use a closed system, ventilation and explosion-proof electrical equipment. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Zielorgane | Eyes, skin, respiratory system, blood, central nervous system |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Expositionspfade | inhalation, ingestion, skin and/or eye contact |
| Signs and Symptoms | Cough. Sore throat. Headache. Nausea.Redness.Redness. Pain.Headache. Nausea. Vomiting.irritation eyes, skin, nose, throatlassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting |
| ICSC Environmental Data | Environmental effects from the substance have not been investigated adequately. |
| F | 9-13-23 |
| Arbeitsplatzgrenzwert (OEL) | Ceiling: 0.5 ppm (3.3 mg/m3) [15-minute] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-26-28 |
| Gefahrenklasse | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Nonanethiol is a germination stimulator. It stimulates the germination of uredospores of Puccinia graminis tritici.