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Cas Database |
| Name |
Di-n-butyl ether |
EINECS | 205-575-3 |
| CAS No. | 142-96-1 | Density | 0.78 g/cm3 |
| PSA | 9.23000 | LogP | 2.60320 |
| Solubility | water: 0.03 g/100 mL (20 °C) | Melting Point |
-98 °C(lit.) |
| Formula | C8H18O | Boiling Point | 142.1 °C at 760 mmHg |
| Molecular Weight | 130.23 | Flash Point | 25 °C |
| Transport Information | UN 1149 3/PG 3 | Appearance | colourless liquid with ether-like odour |
| Safety | 61 | Risk Codes | 10-36/37/38-52/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Butyl ether(8CI);1,1'-Oxybisbutane;Butyl oxide;Dibutyl ether;Dibutyloxide;NSC 8459;n-Butyl ether; |
Article Data | 153 |
Di-n-butyl ether Synthetic route
| Conditions | Yield |
|---|---|
| In water | 97% |
| Conditions | Yield |
|---|---|
| In water; butan-1-ol | 96.1% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetrabutylphosphonium ion; silica gel at 170℃; under 760 Torr; | A 95% B 4 % Chromat. |
| Conditions | Yield |
|---|---|
| With hydrogen; Pd-C | 95% |
| With triethylsilane; silver hexafluoroantimonate at 20℃; for 1.5h; Green chemistry; | 80% |
| With triethylsilane; 1-diphenylphosphino-8-triphenylstibonium-naphthalene triflate In dichloromethane at 20℃; for 0.25h; Catalytic behavior; Reagent/catalyst; Time; | 100 %Spectr. |
| Stage #1: butyraldehyde With C18H25IrN4O(2+)*2CF3O3S(1-) In dichloromethane at 20℃; for 0.0833333h; Stage #2: With phenylsilane In dichloromethane at 20℃; |
| Conditions | Yield |
|---|---|
| With copper acetylacetonate; carbon tetrabromide at 200℃; for 10h; Inert atmosphere; Sealed tube; | 92% |
| With sulfuric acid; silica gel In hexane for 1h; Heating; | 80% |
| With phosphotungstic acid In toluene at 200℃; under 22502.3 Torr; for 3h; Reagent/catalyst; Autoclave; Inert atmosphere; | 73.2% |
- 71-36-3
butan-1-ol
A
- 126-73-8
phosphoric acid tributyl ester
B
- 109-69-3
n-Butyl chloride
C
- 142-96-1
dibutyl ether
| Conditions | Yield |
|---|---|
| With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃; Kinetics; Product distribution; Mechanism; ΔE(excit.), ΔS(excit.); other reagents, other catalysts; | A 90% B n/a C n/a |
| With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃; | A 90% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With Cp*Ir(Cl)2(nBu2Im); silver trifluoromethanesulfonate at 130℃; for 2h; | A n/a B 90% |
- 57-48-7
D-Fructose
- 71-36-3
butan-1-ol
A
- 1917-68-6
5-(butoxymethyl)furan-2-carbaldehyde
B
- 142-96-1
dibutyl ether
C
- 592-84-7
n-butyl formate
D
- 2052-15-5
butyl levulinate
| Conditions | Yield |
|---|---|
| With poly(p-styrenesulfonic acid)-grafted carbon nanotubes at 120℃; for 24h; Sealed tube; Green chemistry; chemoselective reaction; | A n/a B n/a C n/a D 78% |
| Conditions | Yield |
|---|---|
| With AQUIVION P87S perfluorosulfonic acid resin at 120℃; for 5h; Reagent/catalyst; Sealed tube; | A n/a B 76% |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 100℃; for 20h; | 60% |
Di-n-butyl ether Consensus Reports
Di-n-butyl ether Standards and Recommendations
Di-n-butyl ether Specification
The n-Butyl ether is an organic compound with the formula C8H18O. The IUPAC name of this chemical is 1-butoxybutane. With the CAS registry number 142-96-1, it is also named as 1,1'-Oxybisbutane. The product's classification codes are Human Data; Skin / Eye Irritant. Besides, it should be stored in a closed cool and dry place. It is used as reagents of determination of bismuth, solvents, extractant and in organic synthesis.
Physical properties about n-Butyl ether are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.11; (3)ACD/LogD (pH 7.4): 3.11; (4)ACD/BCF (pH 5.5): 135.23; (5)ACD/BCF (pH 7.4): 135.23; (6)ACD/KOC (pH 5.5): 1166.88; (7)ACD/KOC (pH 7.4): 1166.88; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.404; (12)Molar Refractivity: 40.85 cm3; (13)Molar Volume: 166.9 cm3; (14)Polarizability: 16.19×10-24cm3; (15)Surface Tension: 24.1 dyne/cm; (16)Density: 0.78 g/cm3; (17)Flash Point: 25 °C; (18)Enthalpy of Vaporization: 36.36 kJ/mol; (19)Boiling Point: 142.1 °C at 760 mmHg; (20)Vapour Pressure: 7.1 mmHg at 25°C.
Preparation: this chemical can be prepared by butan-1-ol and n-Butyldiphenylsulfoniumperchlorat. This reaction will need reagent K2CO3. The reaction time is 20 min. The yield is about 60%.
Uses of n-Butyl ether: it can be used to produce 1-iodo-butane. It will need reagent phosphoric acid and potassium iodide.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCC)CCCC
(2)InChI: InChI=1/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
(3)InChIKey: DURPTKYDGMDSBL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
(5)Std. InChIKey: DURPTKYDGMDSBL-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 200ppm (200ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946. |
| mouse | LC50 | inhalation | 169gm/m3/15M (169000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC | Anesthesiology. Vol. 11, Pg. 455, 1950. |
| mouse | LDLo | intravenous | 258mg/kg (258mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
| rabbit | LD50 | skin | 10mL/kg (10mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 7400mg/kg (7400mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. |
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