1,2-Dimethoxyethane
Athanor · official
C4H10O2 · 90.12 g/mol
Also called DME, glyme, monoglyme, ethylene glycol dimethyl ether
Names and identifiers
- IUPAC name
- 1,2-dimethoxyethane
- Synonyms
- DME, glyme, monoglyme
+ 39 more
ethylene glycol dimethyl ether, Monoglyme, Ethylene glycol dimethyl ether, Glyme, Dimethyl Cellosolve, Dimethoxyethane, Egdme, 2,5-Dioxahexane, Ethane, 1,2-dimethoxy-, Glycol dimethyl ether, Dimethylcellosolve, Hisolve MMM, Ethylene dimethyl ether, Ansul ether 121, DME (glycol ether), Monoethylene glycol dimethyl ether, DTXSID0025286, alpha,beta-Dimethoxyethane, GXS24JF5IW, NSC-60542, DTXCID705286, CHEBI:42263, GDME, RefChem:71965, 1,2-Ethanediol, dimethyl ether, 203-794-9, Dimethylglycol, Dimethyl Glycol, 1,2-Dimethoxyethan, mono-Glyme, 1,2-Ethanediol dimethyl ether, CH3OCH2CH2OCH3, .alpha.,.beta.-Dimethoxyethane, Ethylenglycoldimethylether, Ethylenglykoldimethylether, MFCD00008502, NSC 60542, 1,2-dimethoxy-ethane, 1,2-DIMETHYLCYCLOHEXANE, ETHYLENE GLYCOL DIMETHYL ETHER
- Molecular formula
- C4H10O2
- Empirical formula
- C2H5O
- Molecular weight
- 90.12 g/mol
- Exact mass
- 90.06808
- CAS number
- 110-71-4
- PubChem CID
- 8071
- Canonical SMILES
- COCCOC
- Isomeric SMILES
- COCCOC
- InChI
- InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
- InChIKey
- XTHFKEDIFFGKHM-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- 1,2-dimethoxyethane appears as a liquid with a sharp odor. Less dense than water. Flash point 1 °C (34 °F). Mildly toxic by ingestion and inhalation. Severely irritates skin and eyes. Vapors heavier than air. Used to make other chemicals.[1]
5 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source –shown 1,2-dimethoxyethane appears as a liquid with a sharp odor. Less dense than water. Flash point 34 °F. Mildly toxic by ingestion and inhalation. Severely irritates skin and eyes. Vapors heavier than air. Used to make other chemicals. [1] CAMEO Chemicals – Liquid; Gas Vapor [2] EPA Chemical Data Reporting (CDR) – COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs) – WATER-WHITE LIQUID [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 488 – COLORLESS LIQUID [4] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 398 - Odor
- Mild odor[4]
- Melting point
- -58 °C[3]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source −58 °C -72 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −58 °Cshown -58 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) −69.2 °C -69.2 °C [5] PAC Chemical Database, U.S. Department of Energy - Boiling point
- 85 °C (185 °F) at 760 mmHg (NTP, 1992)[1]
2 values
Sources disagree; from CAMEO Chemicals, the most authoritative.
Value As written Source 85 °Cshown 185 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 82 to 83 °C 82-83 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Density
- 0.86877 @25 °C[5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source – 0.868 at 68 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. – Relative density (water = 1): 0.86 [3] ILO-WHO International Chemical Safety Cards (ICSCs) –shown 0.86877 @25 °C [5] PAC Chemical Database, U.S. Department of Energy - Solubility in water
- Solubility in water: miscible[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – water solubility = 1.00X10+6 mg/l @ 25 °C [4] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985. –shown Solubility in water: miscible [3] ILO-WHO International Chemical Safety Cards (ICSCs) - log P
- -0.21[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source – Log Kow = -0.21 [4] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 10 –shown -0.21 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- Vapor pressure, kPa at 20 °C: 6.4[3]
5 values
3 of 4 sources agree on it (most common value).
Value As written Source 40 mmHg 40 mmHg at 51.3 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 60 mmHg 60 mmHg at 67.5 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 48 mmHg 48 MM HG @ 20 °C [4] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 296 48 mmHgshown Vapor pressure, kPa at 20 °C: 6.4 [3] ILO-WHO International Chemical Safety Cards (ICSCs) 48 mmHg 48 [mm Hg] @20 °C [5] PAC Chemical Database, U.S. Department of Energy - Flash point
- -2 °C c.c.[3]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source 0 °C 32 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −2 °C 29 °F(-2 °C) (CLOSED CUP) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-51 −2 °Cshown -2 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Autoignition temperature
- 202 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 202 °C 395 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. 202 °C 395 °F (202 °C) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-51 202 °Cshown 202 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 6
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 1
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 3
- TPSA (Ų)
- 18.5
- Formal charge
- 0
- XLogP3
- -0.2 PubChem
- Complexity
- 17 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C53.31%
- H11.18%
- O35.51%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 0.28 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -0.38 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.66 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 90.12
- log P ≤ 5 (Crippen): 0.28
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 2
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Harmonized EU classification (CLP Annex VI). Source [6].
Flammable
Harmful or irritant
Health hazard
- H225Highly Flammable liquid and vapor
- H332Harmful if inhaled
- H360FDMay damage fertility; May damage the unborn child
Precautionary statements: P203, P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P318, P370+P378, P403+P235, P405, P501
View all classifications (3)
- [6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H332, H360FD
- [7] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.2% (1 of 640) of reports.
- [7] European Chemicals Agency (ECHA) · 640 reports · DangerH225, H315, H332, H351, H360, H360FD
First aid
- Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
- General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[8]
- Fresh air, rest.[3]
- Remove contaminated clothes. Rinse skin with plenty of water or shower.[3]
Storage
- Cool. Fireproof. Separated from strong oxidants.[3]
Safety data sheets on the supplier’s page: Yuhao Chemical, eMolecules, MuseChem.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
- 1H NMRSpectraBase (Varian A-60)
- 13C NMRSpectraBase
- 17O NMRSpectraBase
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (CI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (HITACHI RMU-6M · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-7M · EI-B · POSITIVE) · MassBank Europe (Unknown · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-6M · EI-B · POSITIVE) · MassBank Europe (HITACHI M-80 · CI-B · POSITIVE)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (BETWEEN SALTS)
- ATR-IRSpectraBase (ATR-Neat)
- Near IRSpectraBase (BRUKER IFS 88 · NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=9427,REO=2,CNM=HEI,ZFF=2)
- Vapor Phase IRSpectraBase (Bruker IFS 85 · Gas-GC)
- RamanSpectraBase (Bio-Rad FTS 175C with Raman accessory · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [6]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [8]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
- [9]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [11]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [12]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [13]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [14]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.
