Hmdb loader
Read more...Show more...Show more...Show more...Show more...
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-09-13 11:51:21 UTC
Update Date2022-03-07 02:57:14 UTC
HMDB IDHMDB0041980
Secondary Accession Numbers
  • HMDB41980
Metabolite Identification
Common NamePerchloroethylene
Description
Structure
Thumb
Synonyms
Chemical FormulaC2Cl4
Average Molecular Weight165.833
Monoisotopic Molecular Weight163.875410828
IUPAC Nametetrachloroethene
Traditional Nameperchloroethylene
CAS Registry Number127-18-4
SMILES
ClC(Cl)=C(Cl)Cl
InChI Identifier
InChI=1S/C2Cl4/c3-1(4)2(5)6
InChI KeyCYTYCFOTNPOANT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassVinyl halides
Sub ClassVinyl chlorides
Direct ParentVinyl chlorides
Alternative Parents
Substituents
  • Chloroalkene
  • Haloalkene
  • Vinyl chloride
  • Hydrocarbon derivative
  • Organochloride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-22.3 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.21 mg/mL at 25 °CNot Available
LogP3.40Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000302 (0.000241-0.000362) uMAdult (>18 years old)Not SpecifiedNormal
    • National Health a...
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID13837281
KEGG Compound IDC06789
BioCyc IDTETRACHLOROETHENE
BiGG IDNot Available
Wikipedia LinkTetrachloroethene
METLIN IDNot Available
PubChem Compound31373
PDB IDNot Available
ChEBI ID17300
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00029816
Good Scents IDrw1286921
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. GRANDJEAN E, WANNER HU, RHINER A: [INVESTIGATIONS OF TETRACHLOROETHYLENE VAPORS IN 2 TYPES OF OPEN METAL CLEANING APPLIANCES]. Int Arch Gewerbepathol Gewerbehyg. 1964 Nov 3;21:69-79. [PubMed:14340446 ]
  2. Braeckevelt M, Seeger EM, Paschke H, Kuschk P, Kaestner M: Adaptation of a constructed wetland to simultaneous treatment of monochlorobenzene and perchloroethene. Int J Phytoremediation. 2011 Nov-Dec;13(10):998-1013. [PubMed:21972567 ]
  3. Tseng WJ, Guo SF: Synthesis of nanoporous Al2O3 membranes from polybutyl methacrylate functionalized SiO2 particles as a sacrificial template. J Nanosci Nanotechnol. 2012 Oct;12(10):7909-14. [PubMed:23421155 ]
  4. Tsuruta H: Skin absorption of organic solvent vapors in nude mice in vivo. Ind Health. 1989;27(2):37-47. [PubMed:2745160 ]
  5. Wroblewska K, Rogaczewska T: [Evaluation of occupational exposure to tetrachloroethylene (PER) in a dry cleaning business]. Med Pr. 1987;38(2):96-101. [PubMed:3626854 ]