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Decan-1-thiol
decanethiol · decylthiol · decane-1-thiol · N-DECYL MERCAPTAN · 1-decylthiol · MERCAPTAN C10 · 1-DECANETHIOL · Decan-1-thiol
Identifikatoren & physikalische Daten
| CAS No. | 143-10-2 |
|---|---|
| Summenformel | CH3(CH2)9SH |
| Durchschnittliche Molmasse | 174,35 g/mol |
| Monoisotopische Masse | 174,1442217 g/mol |
| SMILES | CCCCCCCCCCS |
| InChIKey | VTXVGVNLYGSIAR-UHFFFAOYSA-N |
| PubChem CID | 8917 |
| EC No. | 205-584-2 |
| DTXSID | DTXSID7059727 |
| Lokaler Name | Decan-1-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 61,9 |
| Stoffklassen | Other Classes -> ThiolsFlammable agents - 2nd degree |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| Dichte | 0.84 (NIOSH, 2024) - Less dense than waterwill floatRelative density (water = 1): 0.840.824 g/mL at 25 °C (lit.) |
| Löslichkeit | Insoluble (NIOSH, 2024)Solubility in water: noneInsoluble in water. |
| Flammpunkt | 209 °F (NIOSH, 2024)98 °C |
| Siedepunkt | 465 °F at 760 mmHg (NIOSH, 2024)241 °C114 °C/13 mmHg (lit.) |
| Schmelzpunkt | -15 °F (NIOSH, 2024)-26 °C-26 °C (lit.) |
| Dampfdichte | Relative vapor density (air = 1): 6.0 |
| Dampfdruck | 0.03 [mmHg]Vapor pressure, Pa at 20 °C: |
| Physical Description | 1-decanethiol is a colorless liquid with a strong odor.Colorless liquid with a strong odor[NIOSH]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.Colorless liquid with a strong odor. |
| Brechungsindex | n20/D 1.458(lit.) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 10.50±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.841 |
| Spezifische Wärmekapazität | Cp(liquid): 2.01 J/(g·K), at 25℃ |
| BRN | 1735223 |
| Henry-Konstante | 5.0×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| InChI | 1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 |
| InChIKey | VTXVGVNLYGSIAR-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCS |
| LogP (Verteilungskoeffizient) | 5.518 (est) |
| CAS Datenbank | 143-10-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Decanethiol(143-10-2) |
| EPA chemische Informationen | 1-Decanethiol (143-10-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.DangerH314 (14.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 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]:Combustible. Above 98 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for 1-Decanethiol: |
| Gefahrenübersicht | See THIOLS |
| DOT-Nummer und Handbuch | 1228 131 |
| Reaktive Gruppe | Sulfides, Organic |
| Reactivity Profile | 1-DECANETHIOL is incompatible with oxidizing agents, strong acids and bases, alkali metals, and nitric acid. May react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with strong oxidizing agents such as calcium hypochlorite(Ca(OCl)2) forming toxic fumes of SOx. Will react with hydrides to form flammable H2 gas. May react with halogenated hydrocarbons to yield hydrogen halides. Reacts exothermically with aldehydes. May mit highly toxic fumes of SO when heated to decomposition. |
| Chemical Dangers | Decomposes on burning. This produces toxic gases including sulfur dioxide (see ICSC 0074). Reacts with strong bases and strong oxidants. |
| Flammable Limits | Class IIIB Combustible Liquid: Fl.P. at or above 200 °F. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Corr. 1C (14.8%)Flammable agents - 2nd degree |
| Brandbekämpfung | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Use foam, carbon dioxide, powder. |
| 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.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| Erste Hilfe | Excerpt from NIOSH Pocket Guide for 1-Decanethiol:(General first aid procedures) |
| Sichere Lagerung | Separated from strong oxidants and strong bases. |
| Freisetung ohne Brand | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: |
| 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]: |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Above 98 °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, central nervous system |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact |
| Signs and Symptoms | Dizziness. Headache. Nausea.Severe deep burns. Pain.Nausea. Vomiting. Dizziness. Drowsiness. Headache. Weakness.irritation eyes, skin, respiratory systemconfusion, dizziness, headache, drowsiness, nausea, vomiting, lassitude (weakness, exhaustion), convulsions |
| F | 13 |
| Arbeitsplatzgrenzwert (OEL) | Ceiling: 0.5 ppm (3.6 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 |
| hazard_note | Irritant/Stench/Air Sensitive |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Decanethiol is used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for field-effect transistors (FETs). It is also used in the study of self-assembled monolayers.