基本情報
- 標準SMILES
O=C(O)CCCCCCCCCCS- InChIKey
GWOLZNVIRIHJHB-UHFFFAOYSA-N- 分子式
- C11H22O2S
- 平均分子量
- 218.36 g/mol
- 単同位体質量
- 218.13405094
名称と識別子
- 優先名称
- 11-Mercaptoundecanoic Acid
- IUPAC
- 11-sulfanylundecanoic acid
- 現地名
- 11-メルカプトウンデカン酸
- 英語名
- 11-Mercaptoundecanoic acid
- 分子式
- C11H22O2S
- 分子量
- 218.36
名称と別名
名称をさらに表示
データベース識別子
- CAS
71310-21-9- PubChem CID
- 543502
- DTXSID
DTXSID00337585- EC Number
- 615-278-4
- Nikkaji
- J524.170G
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 38.3 Ų
- 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
- 10
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 137
実験および物理化学的性質
物理化学的性質
- 融点
- 46 · 46-50 °C (lit.)
- 沸点
- 159 °C · 159 °C(Press: 1 Torr)
- 比重(密度)
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- 闪点
- 110 °C · 110 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Sparingly), Methanol (Slightly)
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 外見
- Solid
- 色
- White to Off-White
- InChI
- InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
- InChIKey
- GWOLZNVIRIHJHB-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCCCCCS
化学的性質
化学的特性White to light yellow solid
安全と法規制
GHS分類
GHS Classification
Warning
H315 (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 42 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
安全データ
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用MUA is used for the carboxylic acid functionalization of 1-dodecanethiol-protected gold nanoparticles (AuNPs) by Murray place-displacement reaction generally utilized in biomedical applications. It can also be used to modify the surface of platinum nanoparticles (PtNPs) by creating a ligand nano-assembly with a high surface coverage for use in surface-enhanced Raman spectroscopy (SERS). A single cell biochip platform can be developed utilizing a cell attachment technique with MUA forming a SAM that was attached to single cells. MUA may be used to prepare a tetrafluorophenyl-activated ester self-assembled monolayer to immobilize amine-modified oligonucleotides and DNA. It is also used to create 3D-assembled gold nanostructures for plasmonic biosensors.
一般的な説明11-mercaptoundecanoic acid (MUA) has long alkane chains and carboxyl containing thiols that are highly packed and form a self-assembled monolayer (SAM). It modifies the surface of nanoparticles to facilitate their dispersion into water and solvent based mediums.
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下流製品
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