チオビス(酢酸エチル)

Diethyl 2,2'-thiodiacetate

HCID 70216CAS 925-47-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)CSCC(=O)OCC
InChIKey: TVCSSJHLVLMADJ-UHFFFAOYSA-N
分子式: C8H14O4S
平均分子量: 206.26 g/mol
単同位体質量: 206.0612801

名称と識別子

優先名称: Diethyl 2,2'-thiodiacetate
IUPAC: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
現地名: チオビス(酢酸エチル)
英語名: Diethyl 2,2'-thiodiacetate
分子式: C8H14O4S
分子量: 206.26

名称と別名

Diethyl 2,2'-thiodiacetateEINECS 213-117-9DTXSID50239020NSC 12576RefChem:587063DTXCID70161511213-117-9925-47-3Diethyl thioglycolatediethyl thiodiglycolateDIETHYL 2,2-THIODIACETATEethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate

名称をさらに表示

2,2'-チオビス(酢酸エチル)チオビス(酢酸エチル)チオグリコール酸ジエチル2,2'-チオジグリコール酸ジエチル2,2'-チオ二酢酸ジエチルエチル 2-[(2-エトキシ-2-オキソエチル)スルファニル]アセタート2,2′-チオビス(酢酸エチル)dimethyl thioglycolate2,2'-Thiodig2,2'-ThiodigLDiethyl DithioacetateDIETHYL THIOGLYCOLATE 96Diethyl 2,2′-thiobisacetateDiethyl 2,2'-thiobisacetate

MFCD00087932Diethyl 2,2'-ThiodiglycolateEthoxycarbonylmethylsulfanyl-acetic acid ethyl ester38N3YM4LAKNSC-12576diethyl 2,2'-sulfanediyldiacetateAcetic acid, 2,2'-thiobis-, diethyl ester3-Thiaglutaric acid diethyl ester

データベース識別子

CAS: 925-47-3
PubChem CID: 70216
DTXSID: DTXSID50239020
UNII: 38N3YM4LAK
EC Number: 213-117-9
Nikkaji: J298.486E

物性

構造計算による物性

XLogP: 1.5
極性表面積: 77.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 69 · 69-72 °C(lit.)
沸点: 252 · 252-253 °C(lit.)
比重(密度): 1.146 g/mL · 1.146 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.467(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Light yellow to Brown
LogP: 2.31 · 2.310 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29420000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

応用分野

使用Diethyl 2,2''-Thiodiacetate is used in the synthesis of potent anticonvulsant agents. As well, used in the preparation of thienophenanthrene derivatives as polymer light-emitting devices and solar ccells.

サプライヤー50 社

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]