5-カルボキシ-1-ペンタンチオール
5-カルボキシ-1-ペンタンチオール · 6-メルカプトヘキサン酸 · 6-sulfanylhexanoicaci · 6-SULFANYLHEXANOIC ACID · 5-Carboxy-1-pentanethiol · Hexanoic acid, 6-mercapto- · 6-Mercaptohexanoic acid 90% · 6-Mercaptohexanoic acid,MHA
識別子と物理属性
| CAS No. | 17689-17-7 |
|---|---|
| 分子式 | C6H12O2S |
| 平均分子量 | 148.23 g/mol |
| 単同位体質量 | 148.05580079 g/mol |
| SMILES | O=C(O)CCCCCS |
| InChIKey | CMNQZZPAVNBESS-UHFFFAOYSA-N |
| PubChem CID | 329113 |
| ChEMBL | CHEMBL78998 |
| EC No. | 626-672-0 |
| DTXSID | DTXSID60317045 |
| 現地名 | 5-カルボキシ-1-ペンタンチオール |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 38.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 5 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 83.1 |
| 沸点 | 155-157 °C(Press: 13 Torr) |
| 密度 | 1.0715 g/mL at 25 °C |
| 屈折率 | n20/D 1.4846 |
| 貯蔵条件 | -20°C |
| pKa（酸解離定数） | 4.74±0.10(Predicted) |
| InChI | InChI=1S/C6H12O2S/c7-6(8)4-2-1-3-5-9/h9H,1-5H2,(H,7,8) |
| InChIKey | CMNQZZPAVNBESS-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCS |
化学的特性
Colorless to yellow liquid
安全性と法規制
| GHS 分類 | WarningH315 (100%): 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 3334 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
MHA can be used in the surface modification of InP quantum nanowires for their potential uage in fluorescent chemical sensors that monitor cyanide ions. MHA may also be covalently bonded with liposomes that can form a SAM on the surface of gold for use as an insect odorant receptor in biosensor based applications.
一般的な説明
6-Mercaptohexanoic acid (MHA) forms a self-assembled monolayer (SAM) that is used to cap a variety of materials like gold nanoparticles (AuNPs) and indium phosphide quantum dots (InPQDs). It is majorly used in immobilizing the surface molecules, which enhance the physio-chemical and electrical properties.