Chloromethyl methyl ether (CHEM003643)

Record Information
Version1.0
Creation Date2014-09-11 02:04:53 UTC
Update Date2026-08-22 09:48:37 UTC
Accession NumberCHEM003643
Identification
Common NameChloromethyl methyl ether
ClassSmall Molecule
Description
Chloromethyl methyl ether is used to modify ion-exchange membranes used in the production of grapefruit juice Chloromethyl methyl ether belongs to the family of Organochlorides. These are organic compounds containing a chlorine atom.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens General
  • IARC Carcinogens Group 1
  • OSHA Hazardous Chemicals
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Ether
  • Food Toxin
  • Industrial/Workplace Toxin
  • Metabolite
  • Organic Compound
  • Organochloride
  • Pollutant
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
alpha,alpha-Dichlorodimethyl etherHMDB
CH3och2CLHMDB
ChlordimethyletherHMDB
Chlormethyl methyl etherHMDB
Chloro(methoxy)methaneHMDB
Chloro-methoxymethaneHMDB
Chlorodimethyl etherHMDB
Chloromethoxy-methaneHMDB
Chloromethyl methyl ether (cmme)HMDB
Chloromethyl methyl ether (technical grade)HMDB
CMMEHMDB
DimethylchloroetherHMDB
Ether methylique monochloreHMDB
Ether, chloromethyl methylHMDB
Ether, dimethyl chloroHMDB
MethoxychloromethaneHMDB
Methoxymethyl chlorideHMDB
Methyl chloromethyl etherHMDB
Methyl chloromethyl ether, anhydrousHMDB
Methyl chloromethyl ether, anhydrous(dot)HMDB
Methylchloromethyl etherHMDB
Mom chlorideHMDB
Monochlorodimethyl etherHMDB
Monochloromethyl methyl etherHMDB
Chloromethyl methyl methoxychloromethaneHMDB
Chemical FormulaC2H5ClO
Average Molecular Mass80.514 g/mol
Monoisotopic Mass80.003 g/mol
CAS Registry Number107-30-2
IUPAC Namechloro(methoxy)methane
Traditional Namechloromethyl methyl ether
SMILESCOCCl
InChI IdentifierInChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
InChI KeyXJUZRXYOEPSWMB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative Parents
Substituents
  • Dialkyl ether
  • Hydrocarbon derivative
  • Organochloride
  • Organohalogen compound
  • Alkyl halide
  • Alkyl chloride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateLiquid
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point-103.5 °C
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility134 g/LALOGPS
logP0.16ALOGPS
logP0.74ChemAxon
logS0.22ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.65 m³·mol⁻¹ChemAxon
Polarizability7.4 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (1)
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0031332
FooDB IDFDB003395
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChloromethyl methyl ether
Chemspider ID13852893
ChEBI IDNot Available
PubChem Compound ID7864
Kegg Compound IDC19160
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.