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Cas Database |
| Name |
Isopropyl ether |
EINECS | 203-560-6 |
| CAS No. | 108-20-3 | Density | 0.758 g/cm3 |
| PSA | 9.23000 | LogP | 1.81980 |
| Solubility | 9 g/L (20 °C) in water | Melting Point |
-85.5 °C |
| Formula | C6H14O | Boiling Point | 68.3 °C at 760 mmHg |
| Molecular Weight | 102.177 | Flash Point | −29°F |
| Transport Information | UN 1159 3/PG 2 | Appearance | colourless liquid |
| Safety | 9-16-29-33 | Risk Codes | 11-19-66-67 |
| Molecular Structure |
|
Hazard Symbols |
 F
|
| Synonyms |
Isopropylether (8CI);2,2'-Oxybispropane;2-Isopropoxypropane;Bis(isopropyl) ether;Di-1-methylethyl ether;Diisopropyl ether;Diisopropyl oxide;iso-Propyl ether;Propane, 2,2'-oxybis-; |
Article Data | 260 |
Isopropyl ether Synthetic route
- 187737-37-7
propene
- 64-19-7
acetic acid
A
- 108-20-3
di-isopropyl ether
B
- 108-21-4
Isopropyl acetate
C
- 67-63-0
isopropyl alcohol
| Conditions | Yield |
|---|---|
| With water; cesium nitrate; tungstophosphoric acid; water; mixture of, dried, tabletted at 105.6 - 165℃; under 6750.68 Torr; Product distribution / selectivity; Gas phase; | A 2.3% B 94.7% C 2.8% |
- 769-42-6
1,3-dimethylbarbituric acid
- 67-64-1
acetone
A
- 108-20-3
di-isopropyl ether
B
- 7358-62-5
1,3-dimethyl-5-isopropylbarbituric acid
C
- 67-63-0
isopropyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-dimethylbarbituric acid; acetone Stage #2: With sulfuric acid; hydrogen; platinum on activated charcoal In water under 3878.61 Torr; for 48h; | A n/a B 92% C n/a |
- 546-68-9
titanium(IV) isopropylate
A
- 108-20-3
di-isopropyl ether
C
- 67-63-0
isopropyl alcohol
D
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| In gas byproducts: CH3CHCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 550°C; further compound: H2 was obtained with a yield of <0.5%; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra; | A 2% B n/a C 87% D 11% |
| Conditions | Yield |
|---|---|
| drying (vac., room temp., 48 h); elem. anal.; | A 80% B n/a C n/a |
- 67-64-1
acetone
A
- 108-11-2
Methyl isobutyl carbinol
B
- 108-20-3
di-isopropyl ether
C
- 108-10-1
4-methyl-2-pentanone
D
- 67-63-0
isopropyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; Pd on nickel-silica composite hollow nanospheres at 199.85℃; Product distribution; Further Variations:; Catalysts; | A 1.5% B 8.2% C 5.4% D 75.6% |
- 67-63-0
isopropyl alcohol
- 100-51-6
benzyl alcohol
A
- 108-20-3
di-isopropyl ether
B
- 937-54-2
benzyl isopropyl ether
C
- 103-50-4
dibenzyl ether
| Conditions | Yield |
|---|---|
| With copper acetylacetonate; carbon tetrabromide at 150℃; for 8h; Inert atmosphere; Sealed tube; | A 14% B 65% C 30% |
| With Cp*Ir(Cl)2(nBu2Im); silver trifluoromethanesulfonate at 110℃; for 12h; | A n/a B 80 %Spectr. C 16 %Spectr. |
| Conditions | Yield |
|---|---|
| 1-methyl-3-(propyl-3-sulfonyl)imidazolium trifluoromethanesulfonate; CF3O3S(1-)*CHF3O3S*C7H13N2O3S(1+) at 240 - 260℃; for 4h; Product distribution / selectivity; | A 59% B n/a |
| sulfated zirconia oxide at 100℃; for 0.0333333h; Rate constant; further catalysts; | |
| aluminum oxide; titanium(IV) oxide at 199.9℃; Product distribution; other temperatures; percent conversion; |
- 67-63-0
isopropyl alcohol
- 108-67-8
1,3,5-trimethyl-benzene
A
- 108-20-3
di-isopropyl ether
B
- 5980-96-1
1-isopropyl-2,4,6-trimethylbenzene
| Conditions | Yield |
|---|---|
| Deloxan catalyst In carbon dioxide at 31.1℃; under 55354.4 Torr; | A 1% B 40% C 5% |
| Conditions | Yield |
|---|---|
| Deloxan ASP 1/7 acid catalyst In carbon dioxide at 200℃; under 150015 Torr; | 29% |
| molecular sieve Rate constant; rate constants for dehydratation at various temperatures; | |
| monoaluminum phosphate at 299.9℃; Rate constant; Thermodynamic data; |
- 201230-82-2
carbon monoxide
- 67-63-0
isopropyl alcohol
A
- 123-51-3
i-Amyl alcohol
B
- 78-83-1
2-methyl-propan-1-ol
C
- 108-20-3
di-isopropyl ether
D
- 78448-33-6
1-isopropoxy-2-methyl-propane
| Conditions | Yield |
|---|---|
| With hydrogen; Cobalt rhodium; iodine at 200℃; under 315025 Torr; for 2h; Product distribution; other promoter, other pressure; | A n/a B 22% C 12% D 9% |
Isopropyl ether Chemical Properties
IUPAC Name: 2-Propan-2-yloxypropane
Molecular Structure: 
Molecular Formula: C6H14O
Molecular Weight: 102.17
CAS NO: 108-20-3
EINECS: 203-560-6
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.384
Molar Refractivity: 31.5 cm3
Molar Volume: 134.6 cm3
Surface Tension: 20.1 dyne/cm
Density: 0.758 g/cm3
Enthalpy of Vaporization: 29.1 kJ/mol
Flash Point: −29 °F
Boiling Point: 68.3 °C at 760 mmHg
Vapour Pressure: 152 mmHg at 25°C
Melting Point: -85.5 °C
Storage temp: Flammables area
Water Solubility: 9 g/L (20 °C)
Appearance: colourless liquid
Synonyms of Isopropyl ether (CAS NO.108-20-3): 2-Isopropoxypropane ; Diisopropylether ; DIPE
Stability: Stability Extremely flammable. This material is a serious fire and explosion risk. Vapour may travel considerable distances to an ignition source, which need not be an open flame, but may be a hot plate, steam pipe, etc. Vapour may be ignited by the static electricty which can build up when isopropyl ether is being poured from one vessel
SMILES: O(C(C)C)C(C)C
InChI: InChI=1/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYAC
Std. InChI: InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
Std. InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
Isopropyl ether Uses
Isopropyl ether (CAS NO.108-20-3) is used as standard materials for chromatographic analysis, solvent and extraction agent, and it is also used in organic synthesis.
Isopropyl ether Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 130gm/m3 (130000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mammal (species unspecified) | LD50 | oral | 6gm/kg (6000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mouse | LC50 | inhalation | 131gm/m3 (131000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(10), Pg. 55, 1975. |
| mouse | LD50 | intraperitoneal | 812mg/kg (812mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961. | |
| mouse | LD50 | unreported | 3600mg/kg (3600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(10), Pg. 55, 1975. |
| rabbit | LC50 | inhalation | 121gm/m3 (121000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(10), Pg. 55, 1975. |
| rabbit | LD50 | skin | 20mL/kg (20mL/kg) | Union Carbide Data Sheet. Vol. 4/10/1968, | |
| rabbit | LDLo | oral | 6gm/kg (6000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of Industrial Hygiene and Toxicology. Vol. 21(3), Pg. 72, 1939. |
| rat | LC50 | inhalation | 162gm/m3 (162000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(10), Pg. 55, 1975. |
| rat | LD50 | oral | 8470mg/kg (8470mg/kg) | Union Carbide Data Sheet. Vol. 4/10/1968, | |
| rat | LD50 | unreported | 5880mg/kg (5880mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(10), Pg. 55, 1975. |
Isopropyl ether Safety Profile
Safety Information about Isopropyl ether (CAS NO.108-20-3):
Hazard Codes: 
F
Risk Statements: 11-19-66-67
R11: Highly flammable.
R19: May form explosive peroxides.
R66: Repeated exposure may cause skin dryness or cracking.
R67: Vapours may cause drowsiness and dizziness.
Safety Statements: 9-16-29-33
S9: Keep container in a well-ventilated place.
S16: Keep away from sources of ignition.
S29: Do not empty into drains.
S33: Take precautionary measures against static discharges.
RIDADR: UN 1159 3/PG 2
WGK Germany: 1
RTECS: TZ5425000
F: 10
HazardClass: 3
PackingGroup: II
Moderately toxic by intraperitoneal route. Mildly toxic by ingestion, inhalation, and skin contact. A skin irritant. A very dangerous fire hazard and severe explosion hazard when exposed to heat, flame, sparks, or oxidizers. Under some conditions shock will explode it. Dangerous; on exposure to air it rapidly forms very sensitive, explosive peroxides that precipitate as crystals. Violent reaction with chlorosulfonic acid, HNO3. Potentially dangerous reaction with propionyl chloride can burst a sealed container. Reacts vigorously with oxidizing materials. To fight fire, use alcohol foam, CO2, foam, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ETHERS.
Isopropyl ether Standards and Recommendations
OSHA PEL: TWA 500 ppm
ACGIH TLV: TWA 250 ppm; STEL 310 ppm
DFG MAK: 500 ppm (2100 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
Isopropyl ether Analytical Methods
For occupational chemical analysis use NIOSH: Isopropyl Ether S368.
Isopropyl ether Specification
Chemical Stability: Stable under normal temperatures and pressures. Light sensitive. May form explosive peroxides on prolonged storage.
Conditions to Avoid: High temperatures, incompatible materials, light, ignition sources, exposure to air.
Incompatibilities with Other Materials: Strong oxidizing agents, amines, mineral acids, aldehydes.
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, peroxides.
Hazardous Polymerization: Will not occur.
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