15-カルボキシ-1-ペンタデカンチオール

16-Mercaptohexadecanoic acid

HCID 3522585

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 69839-68-5
標準SMILES: O=C(O)CCCCCCCCCCCCCCCS
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
分子式: C16H32O2S
平均分子量: 288.5 g/mol
単同位体質量: 288.21230143

名称と識別子

優先名称: 16-Mercaptohexadecanoic acid
IUPAC: 16-sulfanylhexadecanoic acid
現地名: 15-カルボキシ-1-ペンタデカンチオール
英語名: 16-Mercaptohexadecanoic acid
分子式: C16H32O2S
分子量: 288.49

名称と別名

16-Mercaptohexadecanoic acidDTXSID0039328716-MHA cpdRefChem:79027DTXCID9034414769839-68-516-sulfanylhexadecanoic acidMHDAMFCD00674018Hexadecanoic acid, 16-mercapto-C16H32O2SSCHEMBL49347

名称をさらに表示

15-カルボキシ-1-ペンタデカンチオール16-メルカプトヘキサデカン酸NANOTHINKS ACID16NANOTHINKS(R) ACID16nanothinks tm acid1616-sulfanylhexadecanoicaci16-Mercaptohexadecanoic acid 90%

16-Mercaptohexadecanoic acid, 90%16-Mercaptohexadecanoic acid, 99%D7098816-Mercaptopalmitic acidNanoThinks™ ACID16AMY3796216-MERCAPTOHEXADECANOICACIDAKOS015856333

データベース識別子

CAS: 69839-68-5
PubChem CID: 3522585
DTXSID: DTXSID00393287
EC Number: 628-111-5
Nikkaji: J534.969I

物性

構造計算による物性

XLogP: 5.7
極性表面積: 38.3 Å²
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: 15
重原子数: 19
形式電荷: 0
複雑度: 195

物理化学的性質

融点: 65 · 65-69 °C
比重(密度): 0.787 g/mL · 0.787 g/mL at 25 °C
闪点: 52 °F · 52 °F
貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
SMILES: OC(=O)CCCCCCCCCCCCCCCS

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 39 reports by companies.；There is 1 notification provided by 1 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 2
ridadr: UN 1170 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 7-16
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Formation of interchain carboxylic anhydrides on self-assembled monolayers with Fluoro N,N,N′,N′-tetramethylforamidinium hexafluorophosphate.1 This compound is used in self-assembly to produce hydrophilic SAMs. The resulting monolayers which are terminated with carboxylic acids can be further functionalized2 with various amines and alcohols to introduce more complex end groups or multiple layers.3

一般的な説明16-Mercaptohexadecanoic acid (MHA) is an alkanethiol with long chained CH2 groups, which form a self-assembled monolayer (SAM) on a wide range of substrates.