3,3'-Thiobis(methyl propionate) (HCID 77781)

名称と識別子

優先名称: 3,3'-Thiobis(methyl propionate)
IUPAC: methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
現地名: 3,3'-チオジプロピオン酸ジメチル
英語名: Dimethyl 3,3'-thiodipropanoate
分子式: C8H14O4S
分子量: 206.26

名称と別名

4131-74-2Dimethyl 3,3'-thiodipropionateDimethyl thiodipropionate3,3'-Thiobis(methyl propionate)Propanoic acid, 3,3'-thiobis-, dimethyl esterBis(2-methoxycarbonylethyl)sulfideDTXSID0027561Dimethyl 3,3'-thiobispropionate4QGO9S8DSCThiodipropionic acid dimethyl esterNSC 2244Propionic acid, 3,3'-thiodi-, dimethyl ester

名称をさらに表示

3,3'-チオジプロピオン酸ジメチルジメチル3,3'-チオジプロピオナート3,3'-チオビス(プロパン酸)ジメチル3,3'-チオビスプロピオン酸ジメチル3,3'-チオビス(プロピオン酸メチル)3,3'-チオビス(プロピオン酸)ジメチル3,3'-チオジ(プロピオン酸メチル)3,3′-チオジプロピオン酸ジメチル3,3′-チオビスプロピオン酸ジメチル3,3′-チオビス(プロピオン酸)ジメチル3,3′-チオビス(プロパン酸)ジメチル3,3′-チオビス(プロピオン酸メチル)3,3′-チオジ(プロピオン酸メチル)ジメチル3,3′-チオジプロピオナートメチル 3-[(3-メトキシ-3-オキソプロピル)スルファニル]プロパノアートDimethyl DithiopropionateDIMETHYL 3 3-THIODIPROPIONATEDimethyl 3,3'-thiodipropanoateDIMETHYL 3,3''-THIODIPROPANOATE

Propanoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester.beta.,.beta.'-Dicarbomethoxydiethyl sulfideNSC-2244EINECS 223-948-9NSC 35224NSC-35224beta,beta'-Dicarbomethoxydiethyl sulfideDTXCID907561

データベース識別子

CAS: 4131-74-2
PubChem CID: 77781
DTXSID: DTXSID0027561
ChEMBL: CHEMBL1899866
UNII: 4QGO9S8DSC
EC Number: 223-948-9
Nikkaji: J149.683B

物性

構造計算による物性

XLogP: 0.5
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

実験および物理化学的性質

Collision Cross Section146.5 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0027561]

物理化学的性質

沸点: 148 °C18 · 148 °C18 mm Hg(lit.)
比重(密度): 1.198 g/mL · 1.198 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.475(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
InChI: InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3
InChIKey: MYWWWNVEZBAKHR-UHFFFAOYSA-N
SMILES: S(CCC(OC)=O)CCC(OC)=O
CAS データベース: 4131 · 4131-74-2(CAS DataBase Reference)
NISTの化学物質情報: 3 · Propanoic acid, 3,3'-thiobis-, dimethyl ester(4131-74-2)
EPAの化学物質情報: 3 · Propanoic acid, 3,3'-thiobis-, dimethyl ester (4131-74-2)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 9.7% (12 of 124) of reports.

Warning

H315 (90.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 12 of 124 reports by companies.；There is 1 notification provided by 112 of 124 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

Regulatory InformationPropanoic acid, 3,3'-thiobis-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (90.3%)；Eye Irrit. 2 (90.3%)

法規制情報

Regulatory InformationPropanoic acid, 3,3'-thiobis-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29309090
化審法: (2)-1398
消防法: 危-4-3-III

化学と産業

用途と製造

General Manufacturing InformationPropanoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester: ACTIVE

応用分野

使用Dimethyl 3,3''-thiodipropionate is a useful building block for organic synthesis.

上流・下流製品情報

下流製品

4-オキソテトラヒドロ-2H-チオピラン-3-カルボン酸メチル 3,3'-チオジプロピオン酸ジドデシル

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

3,3'-チオジプロピオン酸ジメチル

基本情報