基本情報
- CAS
5332-52-5- 標準SMILES
CCCCCCCCCCCS- InChIKey
CCIDWXHLGNEQSL-UHFFFAOYSA-N- 分子式
- CH3(CH2)10SH
- 平均分子量
- 188.38 g/mol
- 単同位体質量
- 188.15987194
概要
1-undecanethiol is a liquid with a bad smell. Mp: -3 °C; bp: 259.5 °C. Density: 0.841 g cm-3 at 25 °C.
名称と識別子
- 優先名称
- 1-Undecanethiol
- IUPAC
- undecane-1-thiol
- 現地名
- 1-ウンデカンチオール
- 英語名
- 1-Undecanethiol
- 分子式
- C11H24S
- 分子量
- 188.37
名称と別名
1-undecanethiol5332-52-5Undecyl mercaptan1-mercaptoundecaneYY1144Q77ANSC 4031NSC-4031DTXSID4074564n-Undecyl mercaptanRefChem:77317DTXCID8041402undecane-1-thiol
名称をさらに表示
1-ウンデカンチオールウンデシルメルカプタンウンデカン-1-チオール1-メルカプトウンデカンUNDECANETHIOL1-Undecanethiol 98%1-UNDECANETHIOL 95+%1-Undecanethiol,1-UDT, 11-Mercapto-1-undecanol, Undecyl Mercaptan
undecylmercaptanMFCD00022097UNII-YY1144Q77ASCHEMBL131363NSC4031AKOS015903186BP-279351-UDT
データベース識別子
- CAS
5332-52-5- PubChem CID
- 62570
- DTXSID
DTXSID4074564- UNII
- YY1144Q77A
- EC Number
- 628-713-8
- Nikkaji
- J97.157J
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 1 Ų
- 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
- 9
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 71.4
実験および物理化学的性質
Chemical ClassesOther Classes -> Thiols
SpringerMaterials PropertiesBoiling point
Density
0.84 (NIOSH, 2024) - Less dense than water; will float
Relative density (water = 1): 0.84
0.84
Solubility
Insoluble (NIOSH, 2024)
Solubility in water: none
Insoluble
Flash Point109 °C
Boiling Point
495 °F at 760 mmHg (NIOSH, 2024)
257-259 °C
495 °F
Melting Point
27 °F (NIOSH, 2024)
-3 °C
27 °F
Physical Description
1-undecanethiol is a liquid with a bad smell. Mp: -3 °C; bp: 259.5 °C. Density: 0.841 g cm-3 at 25 °C.
Liquid; [NIOSH]
LIQUID WITH CHARACTERISTIC ODOUR.
Liquid.
物理化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationThe 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 LabelFlammable Liquid Poison
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health HazardsExcerpt from NIOSH Pocket Guide for 1-Undecanethiol:
Hazards SummarySee THIOLS;
DOT ID and Guide1228 131
Reactive GroupSulfides, Organic
Reactivity Profile
1-UNDECANETHIOL 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. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
化学と産業
応用分野
用途有機合成原料。
使用UDT can be used to functionalize polycarbonate filter membrane for immunological experiments which can further be used in the fabrication of plasmonic flow through biosensor based applications. SAM of UDT can be used in the colloidal gold enhanced immunoassay. It may be used to form SAM on quartz crystal microbalance (QCM) gold electrodes which can be used as adhesive intermediate layers.
一般的な説明Liquid with a bad smell. Mp: -3°C; bp: 259.5°C. Density: 0.841 g cm-3 at 25°C.
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