Diethyl 2,2'-thiodiacetate

HCID 70216
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Basic information

CAS
925-47-3
Standard SMILES
CCOC(=O)CSCC(=O)OCC
InChIKey
TVCSSJHLVLMADJ-UHFFFAOYSA-N
Molecular formula
C8H14O4S
Average molar mass
206.26 g/mol
Monoisotopic mass
206.0612801

Names & identifiers

Preferred name
Diethyl 2,2'-thiodiacetate
IUPAC
ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
English name
Diethyl 2,2'-thiodiacetate
Molecular formula
C8H14O4S
Molecular weight
206.26

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
77.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
13

Physicochemical properties

Melting point
69 · 69-72 °C(lit.)
Boiling point
252 · 252-253 °C(lit.)
Density
1.146 g/mL · 1.146 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.467(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

wgk
3
hs_code
29420000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

Applications

UsesDiethyl 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.

Suppliers100 total

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]

Related reactions

2 records
New reaction record

Compound notes

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