CAS 2079-95-0 1-Tetradecanethiol (HCID 64677)

名称と識別子

優先名称: 1-Tetradecanethiol
IUPAC: tetradecane-1-thiol
現地名: 1-テトラデカンチオール
英語名: 1-Tetradecanethiol
分子式: C14H30S
分子量: 230.45

名称と別名

1-Tetradecanethiol2079-95-0Myristyl mercaptanTetradecyl mercaptann-tetradecylmercaptanTetradecanethiolAPY3P7S1XMUNII-APY3P7S1XMEINECS 218-209-2NSC 57865Tetradecanethiol-(1)AI3-15913

名称をさらに表示

1-テトラデカンチオールテトラデカン-1-チオールミリスチルメルカプタンテトラデシルメルカプタン1-テトラデカンチオール, 94%TetradcylthiolFourteen thiolsTETRADECANE THIOLn-tetradecanethiolTetradecan-1-thioletradecane-1-thiolTETRADECYLMERCAPTANtetradecane-1-thiol

NSC-57865DTXSID70621661MercaptotetradecanenTetradecyl mercaptanRefChem:77255DTXCID1036381218-209-2GEKDEMKPCKTKEC-UHFFFAOYSA-N

データベース識別子

CAS: 2079-95-0
PubChem CID: 64677
DTXSID: DTXSID7062166
UNII: APY3P7S1XM
EC Number: 218-209-2
Nikkaji: J97.159F

物性

構造計算による物性

XLogP: 7.2
極性表面積: 1 Å²
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: 12
重原子数: 15
形式電荷: 0
複雑度: 102

実験および物理化学的性質

Chemical ClassesOther Classes -> Thiols

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 6.1-6.5 deg C; [CHEMINFO] Clear nearly colorless liquid; [MSDSonline]

物理化学的性質

融点: 6 · 6-7°C
沸点: 176 · 176-180°C 22mm
比重(密度): 0.846 g/mL · 0.846 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.461
闪点: 176 · 176-180°C/22mm
酸解離定数(Pka): 10.49 · 10.49±0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1742653 · 1742653
Henry's Law Constant: 8.5 · 8.5×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
SMILES: C(S)CCCCCCCCCCCCC
LogP: 7.555 · 7.555 (est)
CAS データベース: 2079 · 2079-95-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Tetradecanethiol(2079-95-0)
EPAの化学物質情報: 1 · 1-Tetradecanethiol (2079-95-0)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn irritant; May cause serious eye injury; May cause skin sensitization; [MSDSonline] See THIOLS.

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

F: 9-13-23
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29309090
risk_code: 41-43
化審法: (2)-464
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Dam. 1Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as organic intermediate in synthetic rubber processing; [CHEMINFO]

General Manufacturing Information1-Tetradecanethiol: ACTIVE

応用分野 · 2 件

使用TDT is used as a self-assembled monolayer (SAM) on gold nanoparticle(AuNP) based electrodes for bi-enzymer glucose biosensors. The surface modification was done by soaking the electrodes in TDT solution.

一般的な説明1-Tetradecanethiol (TDT) is an alkanethiol used as a self-assembled monolayer (SAM) which may be used to functionalize a variety of nanoparticles. It is a hydrophobic ligand. It is highly oriented and acts as a hole-injection barrier on the nanoparticle surface.