2-(Trimethylsilyl)ethanol (HCID 18013)

名称と識別子

優先名称: 2-(Trimethylsilyl)ethanol
IUPAC: 2-trimethylsilylethanol
現地名: 2-(トリメチルシリル)エタノール
英語名: 2-(Trimethylsilyl)ethanol
分子式: C5H14OSi
分子量: 118.25

名称と別名

2-(Trimethylsilyl)ethanol2916-68-9ETHANOL, 2-(TRIMETHYLSILYL)-GF24TDM0VONSC-96784DTXSID80183421RefChem:849112-TMSEDTXCID90105912220-844-5(2-Hydroxyethyl)trimethylsilane2-trimethylsilylethanol

名称をさらに表示

2-(トリメチルシリル)エタノール2-(トリメチルシリル)エタノ-ル(2-ヒドロキシエチル)トリメチルシラン2‐(トリメチルシリル)エタノール2-トリメチルシリルエタノール2-(トリメチルシリル)エタン-1-オールtrimethylsilylethanolDK254DK717DKSI0330.825 g/MLDKFELEX01842-(TrimethyLTIMTEC-BB SBB009030

2-(trimethylsilyl)ethan-1-ol2-HYDROXYETHYLTRIMETHYLSILANESilane, (2-hydroxyethyl)trimethyl-C5H14OSi2-(trimethylsily)ethanolMFCD000028252-Trimethylsilanyl-ethanol2-(trimethylsilyl)-ethanol

データベース識別子

CAS: 2916-68-9
PubChem CID: 18013
DTXSID: DTXSID80183421
ChEMBL: CHEMBL25482
UNII: GF24TDM0VO
EC Number: 220-844-5
Nikkaji: J49.849A

物性

構造計算による物性

極性表面積: 20.2 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: 2
重原子数: 7
形式電荷: 0
複雑度: 46.5

実験および物理化学的性質

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

物理化学的性質

沸点: 71 · 71-73 °C35 mm Hg(lit.)
比重(密度): 0.825 g/mL · 0.825 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.423(lit.)
闪点: 123 °F · 123 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
酸解離定数(Pka): 15.38 · 15.38±0.10(Predicted)
外見: 液体
色: 無色透明
比重: 0.825 · 0.825
水溶解度: 溶ける
BRN: 1732034 · 1732034
安定性: Hygroscopic
InChI: 1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3
InChIKey: ZNGINKJHQQQORD-UHFFFAOYSA-N
SMILES: C[Si](C)(C)CCO
CAS データベース: 2916 · 2916-68-9(CAS DataBase Reference)
NISTの化学物質情報: -2 · Trimethyl-2-hydroxyethylsilane(2916-68-9)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-(Trimethylsilyl)-ethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: No
rtecs: KM5480000
ridadr: UN 1987 3/PG 3
毒性: mouse,LD50,intraperitoneal,1122mg/kg (1122mg/kg),Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 229, Pg. 1011, 1976.
hs_code: 29310095
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 16-37/39-26-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用2-(Trimethylsilyl)ethanol is a protecting reagent for carboxyl, phosphoryl, hydroxyl, and amino groups. It participates in the reactions of Phenol and Acid Protection, Alcohol Protection, Hemiacetal Protection, Amine Protection, Enol Ether Synthesis, Carbohydrate Chemistry etc.

調製方法 · 2 件

製造方法Three methods of preparation have been reported: (a) from the treatment of ethyl bromoacetate with zinc followed by the reaction with chlorotrimethylsilane1 and subsequent reduction of the resultant ethyl trimethylsilylacetate with lithium aluminum hydride2,3 or borane¨Ctetrahydrofuran(eq 1); (b) from the hydroboration/oxidation or oxymercuration/demercuration of vinyltrimethylsilane (eq 2); and (c)most conveniently, by the reaction of the Grignard reagent formed from (chloromethyl)trimethylsilane with paraformaldehyde (eq 3).

純化方法If the NMR spectrum is not clean, then dissolve the alcohol in Et2O, wash it with aqueous NH4Cl solution, dry (Na2SO4), evaporate and distil it. The 3,4-dinitrobenzoyl derivative has m 66o (from EtOH). [NMR: Speier et al. J Am Chem Soc 79 974 1957, Z Naturforsch 14b 137 1959, Beilstein 4 IV 3951.]