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Ethyl 1,3-dithiane-2-carboxylate, 98+%, Thermo Scientific Chemicals

Catalog No. AAL0066314
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Ethyl 1,3-dithiane-2-carboxylate is used in syn-selective aldol reactions. It undergoes asymmetric oxidation to give trans bis-sulfoxide. It is used to generate carbanon, which finds application in the preparation of alfa- keto esters.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Ethyl 1,3-dithiane-2-carboxylate is used in syn-selective aldol reactions. It undergoes asymmetric oxidation to give trans bis-sulfoxide. It is used to generate carbanon, which finds application in the preparation of alfa- keto esters.

Solubility
Slightly miscible with water.

Notes
Incompatible with acids, bases, oxidizing agents and reducing agents.

Chemical Identifiers

CAS

20462-00-4

Molecular Formula

C7H12O2S2

Molecular Weight (g/mol)

192.291

MDL Number

MFCD00006657

InChI Key

ANEDZEVDORCLPM-UHFFFAOYSA-N

Synonym

1,3-dithiane-2-carboxylic acid ethyl ester, carboethoxy-1,3-dithiane, 2-carboethoxy-1,3-dithiane, 1,3-dithiane-2-carboxylic acid, ethyl ester, 1,3 dithiane-2-carboxylic acid ethyl ester, pubchem22055, acmc-1cpb7, 2-carboethoxy 1,3-dithiane, 2-ethoxycarbonyl-1,3-dithiane, ethyl 1,3 dithiane carboxylate

PubChem CID

88552

IUPAC Name

ethyl 1,3-dithiane-2-carboxylate

SMILES

CCOC(=O)C1SCCCS1

Specifications

Melting Point

19°C to 21°C

Density

1.22

Boiling Point

75°C to 77°C (0.2 mmHg)

Flash Point

54°C (129°F)

Refractive Index

1.54

Quantity

25 g

UN Number

UN1993

Beilstein

1424352

Solubility Information

Slightly miscible with water.

Formula Weight

192.3

Percent Purity

≥98%

Chemical Name or Material

Ethyl 1,3-dithiane-2-carboxylate

Hazard Category

H226

Hazard Statement

GHS H Statement
H226
Flammable liquid and vapor.

Precautionary Statement

P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378q-P501c

DOTInformation

Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.

EINECSNumber

243-838-4

TSCA

No

Recommended Storage

Ambient temperatures

RUO – Research Use Only

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