| Common Name |
1,2-Dichloroethane
| Description |
1,2-Dichloroethane is a solvent used in food processing.The chemical compound 1,2-dichloroethane, commonly known by its old name of ethylene dichloride (EDC), is a chlorinated hydrocarbon, mainly used to produce vinyl chloride monomer (VCM, chloroethene), the major precursor for PVC production. It is a colourless liquid with a chloroform-like odour. 1,2-Dichloroethane is also used generally as an intermediate for other organic chemical compounds, and as a solvent.1,2-Dichloroethane belongs to the family of Organochlorides. These are organic compounds containing a chlorine atom.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29571 (1,2-Dichloroethane)
| Synonyms |
| Value |
Source |
1,2-DCEChEBI
1,2-DichloraethanChEBI
alpha,beta-DichloroethaneChEBI
AethylenchloridChEBI
AethylendichloridChEBI
DCEChEBI
EDCChEBI
Ethane dichlorideChEBI
Ethylene chlorideChEBI
Ethylene dichlorideChEBI
Glycol dichlorideChEBI
a,b-DichloroethaneGenerator
α,β-dichloroethaneGenerator
-DichloroethaneHMDB
alpha,BetHMDB
EDC, jmafHMDB
Ethylene dichloride, bsi, isoHMDB
R 150HMDB
S-DichloroethaneHMDB
Ethylene dichloride, 14C-labeledMeSH
Ethylene dichloride, 14c2-labeledMeSH
Ethylene dichloride, 38CL-labeledMeSH
Ethylene dichloride, ion (1+)MeSH
Ethylene dichloride, 36CL-labeledMeSH
| Chemical Formlia |
C2H4Cl2
| Average Molecliar Weight |
98.959
| Monoisotopic Molecliar Weight |
97.969005542
| IUPAC Name |
1,2-dichloroethane
| Traditional Name |
ethylene dichloride
| CAS Registry Number |
107-06-2
| SMILES |
ClCCCl
| InChI Identifier |
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
| InChI Key |
WSLDOOZREJYCGB-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
| Kingdom |
Organic compounds
| Super Class |
Organohalogen compounds
| Class |
Organochlorides
| Sub Class |
Not Available
| Direct Parent |
Organochlorides
| Alternative Parents |
Hydrocarbon derivatives
Alkyl chlorides
| Substituents |
Hydrocarbon derivative
Organochloride
Alkyl halide
Alkyl chloride
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
chloroethanes (CHEBI:27789 )
a small moleclie (12-DICHLOROETHANE )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Laboratory Chemical
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point-35.3 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility8.6 mg/mL at 25 °CNot Available
LogP1.48Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.94 mg/mLALOGPS
logP1.48ALOGPS
logP1.5ChemAxon
logS-1.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity20.66 m3·mol-1ChemAxon
Polarizability8.5 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| MS |
Mass Spectrum (Electron Ionization)splash10-03di-9000000000-d96c34ebc6d42291a785View in MoNA
| 1D NMR |
1H NMR SpectrumNot Available
| 1D NMR |
13C NMR SpectrumNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000726
| KNApSAcK ID |
Not Available
| Chemspider ID |
13837650
| KEGG Compound ID |
C06752
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
1,2-Dichloroethane
| NuGOwiki Link |
HMDB29571
| Metagene Link |
HMDB29571
| METLIN ID |
Not Available
| PubChem Compound |
11
| PDB ID |
DCE
| ChEBI ID |
27789
Product: SCH 58261
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Download (PDF) |
| General References |
- De Wildeman S, Neumann A, Diekert G, Verstraete W: Growth-substrate dependent dechlorination of 1,2-dichloroethane by a homoacetogenic bacterium. Biodegradation. 2003 Aug;14(4):241-7. [PubMed:12948054 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 17986636
