Sulfurous acid, diethyl ester

HCID 12197CAS 623-81-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOS(=O)OCC
InChIKey
NVJBFARDFTXOTO-UHFFFAOYSA-N
Molecular formula
C4H10O3S
Average molar mass
138.19 g/mol
Monoisotopic mass
138.03506518

Names & identifiers

Preferred name
Sulfurous acid, diethyl ester
IUPAC
diethyl sulfite
English name
Diethyl sulfite
Molecular formula
C4H10O3S
Molecular weight
138.19

Names & synonyms

Diethyl sulfite623-81-4Ethyl sulfiteSulfurous acid, diethyl esterDiethyl sulphiteEthyl sulfite, (Et2SO3)NSC 8838EINECS 210-815-5TL 158BRN 1701906DTXSID00607774-01-00-01324 (Beilstein Handbook Reference)
Show more names
tl158(C2H5O)2SOEthylethylsulfonateDiethyl sulfite,98%Diethyl Sulfite >DIETHYL SULFITE 98%Sulfurous acid diethyl
RefChem:889945DTXCID4043309210-815-5InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2HMFCD00009098LF6566JT87NSC-8838(ethoxysulfinyl)ethoxy

Database identifiers

CAS
623-81-4
PubChem CID
12197
DTXSID
DTXSID0060777
UNII
LF6566JT87
EC Number
210-815-5
Nikkaji
J6.848I

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
54.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesBoiling point
Physical DescriptionClear colorless liquid; [MSDSonline]

Physicochemical properties

Boiling point
158 · 158-160 °C(lit.)
Density
1.077 g/mL · 1.077 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.414(lit.)
Flash point
129 °F · 129 °F
storage temp.
Flammables area
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Sulfurous acid, diethyl ester

Diethyl sulphite: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Toxicity DataLC (mice) > 2,700 mg/m3

Safety data

wgk
3
tsca
TSCA listed
rtecs
WT3511000
ridadr
UN 1993 3/PG 3
hs_code
29209085
risk_code
10-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSulfurous acid, diethyl ester: INACTIVE
Applications · 2 items

UsesDiethyl sulfite (DES) is used as a film forming and high temperature additive for electrolytes in lithium ion batteries. It improves decomposition resistance of the electrolyte. Diethyl sulfite is also used as solvent for lithium bis(oxalato)borate (LiBOB) based electrolytes. The LiBOB-based electrolyte with DES shows high oxidation potentials, and good conductivities.

General DescriptionThis product has been enhanced for energy efficiency.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [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]
湖北成丰化工有限公司13125175253 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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