化工社化工社 化学情報印刷レポート · 研究参考用
1-デカンチオール
1-デカンチオール · デシルメルカプタン · デシルチオール · デカン-1-チオール · n-デシルメルカプタン · 1‐デカンチオール · 1-デカンチオール (96%) · 1-デカンチオール, 96%
識別子と物理属性
| CAS No. | 143-10-2 |
|---|---|
| 分子式 | CH3(CH2)9SH |
| 平均分子量 | 174.35 g/mol |
| 単同位体質量 | 174.1442217 g/mol |
| SMILES | CCCCCCCCCCS |
| InChIKey | VTXVGVNLYGSIAR-UHFFFAOYSA-N |
| PubChem CID | 8917 |
| EC No. | 205-584-2 |
| DTXSID | DTXSID7059727 |
| 現地名 | 1-デカンチオール |
化学・物理的性質
| XLogP | 5.5 |
|---|---|
| 極性表面積 | 1 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 8 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 61.9 |
| 物質分類 | Other Classes -> ThiolsFlammable agents - 2nd degree |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| 密度 | 0.84 (NIOSH, 2024) - Less dense than waterwill floatRelative density (water = 1): 0.840.824 g/mL at 25 °C (lit.) |
| 溶解度 | Insoluble (NIOSH, 2024)Solubility in water: none水に不溶。 |
| 引火点 | 209 °F (NIOSH, 2024)98 °C |
| 沸点 | 465 °F at 760 mmHg (NIOSH, 2024)241 °C114 °C/13 mmHg (lit.) |
| 融点 | -15 °F (NIOSH, 2024)-26 °C-26 °C (lit.) |
| 蒸気密度 | Relative vapor density (air = 1): 6.0 |
| 蒸気圧 | 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. |
| 屈折率 | n20/D 1.458(lit.) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 10.50±0.10(Predicted) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| 比重 | 0.841 |
| 比熱容量 | Cp(liquid): 2.01 J/(g·K), at 25℃ |
| BRN | 1735223 |
| ヘンリー定数 | 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（分配係数） | 5.518 (est) |
| CAS データベース | 143-10-2(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Decanethiol(143-10-2) |
| EPAの化学物質情報 | 1-Decanethiol (143-10-2) |
化学的特性
Liquid
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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.) |
| 輸送ラベル（DOT） | Flammable Liquid Poison |
| 火災危険 | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Combustible. Above 98 °C explosive vapour/air mixtures may be formed. |
| 健康有害性 | Excerpt from NIOSH Pocket Guide for 1-Decanethiol: |
| 有害性の概要 | See THIOLS |
| 輸送番号・ガイド（DOT） | 1228 131 |
| 反応性グループ | 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 |
| 消火 | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Use foam, carbon dioxide, powder. |
| 応急処置措置 | 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 . |
| 応急処置 | Excerpt from NIOSH Pocket Guide for 1-Decanethiol:(General first aid procedures) |
| 安全保管 | Separated from strong oxidants and strong bases. |
| 非火災時の漏出対応 | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: |
| 漏出処分 | 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. |
| 標的器官 | Eyes, skin, respiratory system, central nervous system |
| 有害作用 | Other Poison - Chemical Asphyxiant |
| 暴露経路 | 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 |
| 職業暴露限界（OEL） | Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute] |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3334 |
| 税関コード | 29309090 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (2)-464 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| hazard_note | Irritant/Stench/Air Sensitive |
| 安全措置（S） | 26-36 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
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.
一般的な説明
1-Decanethiol is an alkanethiol that forms a self-assembled monolayer(SAM) and it can be coated as a protective coating on a variety of substrates.