エタノール-D5

Ethanol-d5

HCID 12201693CAS 1859-08-1

部分構造検索類似構造を探す

基本情報

標準SMILES: [2H]C([2H])([2H])C([2H])([2H])O
InChIKey: LFQSCWFLJHTTHZ-ZBJDZAJPSA-N
分子式: C2H6O
平均分子量: 51.1 g/mol
単同位体質量: 51.07324854

名称と識別子

優先名称: Ethanol-d5
IUPAC: 1,1,2,2,2-pentadeuterioethanol
現地名: エタノール-D5
英語名: Ethanol-d5
分子式: C2HD5O
分子量: 51.1

名称と別名

Ethanol-d51859-08-1DTXSID20480249RefChem:340957DTXCID20431059Ethyl-d5 alcohol1,1,2,2,2-pentadeuterioethanolEthanol-1,1,2,2,2-d5d5-ethanol(H)ethan-1-ol(?H?)ethan-1-ol((2)H)ethan-1-ol

名称をさらに表示

エタノール-D5エタノール‐D5エチル-D5-アルコールエタノール (エチル-D5, 98%) (<6% H2O)Lux-d5CDA 19-d5GerM-X-d5IMS 99-d5Jaysol-d5SDA 3A-d5Tecsol-d5Alcohol-d5Algrain-d5

(~2~H_5_)EthanolSCHEMBL721180SCHEMBL1332633LFQSCWFLJHTTHZ-ZBJDZAJPSA-NAKOS015915652D99172Ethanol-1,1,2,2,2-d5, 99.5 atom % D

データベース識別子

CAS: 1859-08-1、68476-78-8
PubChem CID: 12201693
DTXSID: DTXSID20480249
EC Number: 693-229-6
Nikkaji: J624.464E

物性

構造計算による物性

XLogP: -0.1
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: 0
重原子数: 3
形式電荷: 0
複雑度: 2.8

物理化学的性質

沸点: 78 · 78-79 °C(lit.)
比重(密度): 0.871 g/mL · 0.871 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.358(lit.)
闪点: 48 °F · 48 °F
溶解性: Chloroform (Slightly), DMSO (Soluble)
外見: Liquid
酸解離定数(Pka): 15.24 · 15.240±0.10(predicted)
色: Clear Colourless
安定性: Volatile

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+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 39 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

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: UN 1170 3/PG 2
risk_code: 11-20/22-36/37/38
安衛法: 57,57-2
消防法: 危-4-AL-S-II
hazard_code: F,T
safety_code: 7-16-23-33-36/37/39-45

化学と産業

応用分野 · 2 件

使用Most ethyl alcohol(Ethanol-d5) is used in alcoholic beverages in suitable dilutions. Other uses are as solvent in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.

一般的な説明Ethanol-1,1,2,2,2-d5 (ethyl-d5 alcohol, CD3CD2OH) is deuterated ethyl alcohol. The nuclear magnetic relaxation rates of 13C in 13CCl4 and CD3CD2OH solvent mixture has been determined. The quantification of ethyl-d5 alcohol along with ethyl alcohol in serum by stable isotope gas chromatography-mass spectrometry technique has been reported. It plays a role as a tracer in the time-of-flight secondary ion mass spectrometry (TOF-SIMS) tracer method to assess the boundary lubricating behaviors of boundary lubricating films.

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