Diethyl ether

Properties, data and information sources.

Contents

Diethyl ether is an organic chemical compound from the group of ethers.

Names and Identifiers

Name
Diethyl ether

Formula
C₄H₁₀O

Molar mass
74.123 (g/mol)

CAS registry number
60-29-7

EC number EINECS
200-467-2

InChI Key
RTZKZFJDLAIYFH-UHFFFAOYSA-N

Systematic name
Ethoxyethane

Other names, synonyms
1,1´-Oxybis-ethane; 3-Oxapentane; Diethyl oxide; Ether; Ethyl ether; Ethyl oxide

INCI name
ETHYL ETHER

Trade names; preparations
R-610

Chemical formulas

Molecular formula and structural formula of Diethyl ether:

C₄H₁₀O

M_r = 74.123 g/mol

Ethoxyethane
SMILES: CCOCC

Data and Properties

In its pure state and at room temperature, diethyl ether is a clear, colorless, mobile and very volatile liquid with a sweet, characteristic ethereal smell that is highly flammable. When exposed to air, moisture and light, the chemical is slowly oxidized to form peroxides.

solubility:
+ Highly soluble in acetone, methanol, chloroform, petroleum ether.
- Poorly soluble in water (69 g/L at 20 °C).
partition coefficient logP = 0.89.

melting point
-116.3 °C

boiling point
34.6 °C

flash point
-45 °C

ignition temperature
160 °C

density
0.7134 g cm^-3 at 20 °C

pK_a value
pK_1a = -3.59

vapor pressure
586 hPa at 20 °C

viscosity
0.2950 cP at 0 °C
0.2681 cP at 10 °C
0.2448 cP at 20 °C
0.2230 cP at 30 °C

surface tension
17.06 dyn/cm at 20 °C

refractive index
n_D = 1.3526 at 20 °C

n_D = 1.35555 at 15 °C

standard enthalpy of formation
-271.2 ± 1.9 kJ/mol at 25 °C [l]
-252.7 kJ/mol [g]

standard entropie
253.5 J/(mol K)

melting enthalpy
7.19 kJ/mol

enthalpy of combustion
-2732.1 kJ/mol

entropie of combustion
46.6 J/(mol K)

heat capacity
172.5 J/(mol K)

triple point
-116.23 °C

dipole moment
1.098(1) D

permittivity
ε = 4.34 at 20 °C
(dielectric constant)

magnetic susceptibility χ
-55.1 × 10^-6 cm³ mol^-1

Spectroscopic data:

SPLASH (mass spectra)
splash10-001i-9000000000-ff3ce446c6b7cd58b202
splash10-003r-9000000000-539b7fc110138db40d75

MoNA Mass Bank of North America (mass spectrum)
RTZKZFJDLAIYFH-UHFFFAOYSA-N

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
8GdSZXpNlSa

NIST IR-Spektrum
Diethyl ether

Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0062326

Calculated NMR spectrum (Predict Spectra via NMRDB)
¹H NMR Spektrum, ¹³C NMR Spektrum.

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Diethyl ether - C₄H₁₀O - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massC
Carbon4 A_r = 12.011 u
ΣA_r = 48.044 u
¹²C: 12 u [98,94 %]
¹³C: 13.00335 u [1,06 %]
¹⁴C: 14.00324 u [<< 1 %]
¹²C: 64.12953 %
¹³C: 0.68706 %
¹⁴C: trace
64.8166 %H
Hydrogen10 A_r = 1.008 u
ΣA_r = 10.08 u
³H: 3.01605 u [<< 1 %]
¹H: 1.00783 u [99,99 %]
²H: 2.0141 u [0,01 %]
³H: trace
¹H: 13.59766 %
²H: 0.00136 %
13.5990 %O
Oxygen1ΣA_r = 15.999 u
¹⁶O: 15.99491 u [99,757 %]
¹⁷O: 16.99913 u [0,03835 %]
¹⁸O: 17.99916 u [0,205 %]
¹⁶O: 21.53194 %
¹⁷O: 0.00828 %
¹⁸O: 0.04425 %
21.5844 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

More calculated data

The molar mass is M = 74.123 grams per mole.

The amount of substance in one kilogram of the substance is n = 13.491 mol.

The amount of substance in one gram of the substance is n = 0.013 mol.

Monoisotopic mass: 74.073164941 Da - related to ¹²C₄¹H₁₀¹⁶O.

Diethyl ether as Active Ingredient

ATC Code:
N01AA01

Diethyl ether is - especially historically - a substance used as an anesthetic.

For detailed information on the active ingredient, see: DrugBank DB13598, NCI Thesaurus C29819.

Use in Cosmetics

INCI Name: ETHYL ETHER

Diethyl ether is an ingredient in cosmetic products that functions as a solvent.

Source: CosIng (Cosmetic Ingredient Database) number: 55999.

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):

H224
Extremely flammable liquid and vapour

H302
Harmful if swallowed

H336
May cause drowsiness or dizziness

GHS precautionary statements (P phrases):

P210 P240 P403+235

The explosion range of ether in air is between 1.7 vol.% (50 g m^-3) and 39.2 vol.% (1210 g m^-3).

LD50 (rat, oral): 1250 mg/kg.

Labeling in the EU: See ECHA Substance Infocard 100.000.425.

For toxicology and occupational safety when handling Diethyl ether as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 013600.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0355.

Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.

External Sources

PubChem:ID 3283ChemSpider:ID 3168Kegg database DBGET:ID D01772UNII of the FDA (USA):Unique Ingredient Identifier 0F5N573A2YEPA CompTox Chemicals Dashboard:DTXSID3021720Other CAS RN:74446-43-8; 7578-39-4; 927820-24-4 (also used, outdated or deleted registration numbers)

Manufacturers and Sources of Supply

Diethyl ether as a commercial product from internationally active suppliers and search for analogues see: ZINC000001657408.

The table below lists producers and suppliers of Diethyl ether as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Diethyl_ether.

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Last update: 2024-08-31

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