ContaminantDB: Chloromethyl methyl ether

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (1)XML

Record Information

Version

1.0

Creation Date

2014-09-11 02:04:53 UTC

Update Date

2026-04-16 21:11:54 UTC

Accession Number

CHEM003643

Identification

Common Name

Chloromethyl methyl ether

Class

Small 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
alpha,alpha-Dichlorodimethyl ether	HMDB
CH3och2CL	HMDB
Chlordimethylether	HMDB
Chlormethyl methyl ether	HMDB
Chloro(methoxy)methane	HMDB
Chloro-methoxymethane	HMDB
Chlorodimethyl ether	HMDB
Chloromethoxy-methane	HMDB
Chloromethyl methyl ether (cmme)	HMDB
Chloromethyl methyl ether (technical grade)	HMDB
CMME	HMDB
Dimethylchloroether	HMDB
Ether methylique monochlore	HMDB
Ether, chloromethyl methyl	HMDB
Ether, dimethyl chloro	HMDB
Methoxychloromethane	HMDB
Methoxymethyl chloride	HMDB
Methyl chloromethyl ether	HMDB
Methyl chloromethyl ether, anhydrous	HMDB
Methyl chloromethyl ether, anhydrous(dot)	HMDB
Methylchloromethyl ether	HMDB
Mom chloride	HMDB
Monochlorodimethyl ether	HMDB
Monochloromethyl methyl ether	HMDB
Chloromethyl methyl methoxychloromethane	HMDB

Chemical Formula

C₂H₅ClO

Average Molecular Mass

80.514 g/mol

Monoisotopic Mass

80.003 g/mol

CAS Registry Number

107-30-2

IUPAC Name

chloro(methoxy)methane

Traditional Name

chloromethyl methyl ether

SMILES

COCCl

InChI Identifier

InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3

InChI Key

XJUZRXYOEPSWMB-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Dialkyl ethers

Alternative Parents

Substituents

Dialkyl ether
Hydrocarbon derivative
Organochloride
Organohalogen compound
Alkyl halide
Alkyl chloride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ether (CHEBI:82271 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Liquid

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	-103.5 °C
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	134 g/L	ALOGPS
logP	0.16	ALOGPS
logP	0.74	ChemAxon
logS	0.22	ALOGPS
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	9.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	17.65 m³·mol⁻¹	ChemAxon
Polarizability	7.4 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-9120b243d60615410975	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-dc04cfcc6bfaa37c738c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-7ba8cf8d891b242da41d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-14b76091d23c14c7b4a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-25bd2b86f15be914d848	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-ee4d1124923bfcf2f802	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03fs-9000000000-1a4ec70f8ff759b24c52	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-b7d287d4b1002d04e0b4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001j-9000000000-0defce75d438ae972e3f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-00ba25458eb6c0cc2940	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0002-9000000000-2b7038e51ccab0612833	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (1)

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0031332

FooDB ID

FDB003395

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chloromethyl methyl ether

Chemspider ID

13852893

ChEBI ID

Not Available

PubChem Compound ID

7864

Kegg Compound ID

C19160

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.

Chloromethyl methyl ether (CHEM003643)

Structure for CHEM003643: Chloromethyl methyl ether