Dimethyl sulfite (HCID 69223)

Overview

Dimethyl sulfite is a sulfite ester.

Names & identifiers

Preferred name: Dimethyl sulfite
IUPAC: dimethyl sulfite
English name: Dimethyl sulfite
Molecular formula: C2H6O3S
Molecular weight: 110.13

Names & synonyms

Dimethyl sulfite616-42-2Methyl sulfiteSulfurous acid, dimethyl esterDimethyl sulphiteDimethylsulfiteDimethoxy sulfoxideTL 1599JFA40S66PNSC-41902DTXSID3060665CHEBI:48858

Show more names

tl159imethylsulfiteDiMethyl sulfitdimethoxysulfoxideDimethyl sulfite,99%

RefChem:134277DTXCID2043082210-481-0Dimethylsulfit(CH3O)2SOSulphurous acid dimethyl esterDimethyl ester of sulfurous acidDimethyl sulfite, 99%

Database identifiers

CAS: 616-42-2
PubChem CID: 69223
DTXSID: DTXSID3060665
ChEBI: CHEBI:48858
UNII: 9JFA40S66P
EC Number: 210-481-0
Nikkaji: J1.662D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 46.8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesChemical shift

Physical DescriptionClear colorless liquid; [MSDSonline]

Physicochemical properties

Melting point: 0 °C · 0°C
Boiling point: 126 · 126-127 °C (lit.)
Density: 1.294 g/mL · 1.294 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.410(lit.)
Flash point: 106 °F · 106 °F
storage temp.: Flammables area
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: soluble
BRN: 1700256 · 1700256
Dielectric constant: 22.5 · 22.5(23℃)
InChI: InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3
InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N
SMILES: S(OC)(OC)=O
CAS DataBase Reference: 616 · 616-42-2(CAS DataBase Reference)
FDA UNII: 9 JFA40S66P · 9JFA40S66P
NIST Chemistry Reference: Sulfurous acid, dimethyl ester(616-42-2)
EPA Substance Registry System: Sulfurous acid, dimethyl ester (616-42-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36-24/25-16
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 3512000 · WT3512000
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29209085 · 29209085
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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, dimethyl ester

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

Hazards SummaryA skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Toxicity DataLC (mice) > 2,600 mg/m3

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: WT3512000
ridadr: UN 1993 3/PG 3
hs_code: 29209085
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36-24/25-16
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSulfurous acid, dimethyl ester: ACTIVE

Applications

UsesThe conformations and vibrational spectra of dimethyl sulfite was studied by matrix-isolation fourier transform infrared spectroscopy and to study its conformational selective aggregation. It may be used in organic synthesis.

General DescriptionDimethyl sulfite is an insect repellent and also experimentally identified as a mutagenic agent.

Preparation methods · 1 item

PreparationDimethyl sulfite is prepared from a 1:2 ratio of thionyl chloride and methanol. The reaction can be catalyzed by tertiary amine bases and likely proceeds via the chlorosulfinate (MeOS(O)Cl), this intermediate will exist only fleetingly in the presence of methanol and as such its decomposition to methyl chloride and sulfur dioxide (via the slower SNi mechanism) is not observed to any great extent. SOCl2 + 2 CH3OH → (CH3O)2SO + 2 HCl

Upstream & downstream products

Downstream products

Methanesulfonic acid, 1-(dimethylamino)-p-Anisaldehyde dimethyl acetal Methyl chlorosulfonate Methyl fluorosulfonate 4-Bromo-2-methylthiazole 4-Bromophenyl methyl sulfone Chloromethane Tetrabutylammonium methanesulfonate 1-Ethyl-3-methylimidazolium methanesulfonate

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]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: Dimethyl sulfite is a sulfite ester.

Related reactions

35 records

New reaction record

HRID 154096As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 328120As reactantuspto-grants-1977_04

HRID 369570As reactantuspto-grants-2000_10

HRID 369571As reactantuspto-grants-2000_10

HRID 680549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 687219As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 992198As reactantuspto-grants-2002_10

HRID 992199As reactantuspto-grants-2002_10

Linked notes

Loading…

Basic information