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| CAS No.: | 6795-87-5 |
|---|---|
| Name: | 2-Methoxybutane |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C5H12O |
| Molecular Weight: | 88.1497 |
| Synonyms: | Ether,sec-butyl methyl (6CI,7CI,8CI);Butane, 2-methoxy- (9CI);2-Butyl methyl ether;2-Methoxybutane;Methyl1-methylpropyl ether;Methyl sec-butyl ether;sec-Butyl methyl ether; |
| Density: | 0.748 g/cm3 |
| Boiling Point: | 56.5 °C at 760 mmHg |
| Flash Point: | -22 °F |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11 |
| Safety: | 7-16 |
| Transport Information: | UN 2350 |
| PSA: | 9.23000 |
| LogP: | 1.43130 |
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Specification
The Butane, 2-methoxy-, with the CAS registry number 6795-87-5, is also known as 2-Butyl methyl ether. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C5H12O and formula weight is 88.15. What's more, its IUPAC name is 2-methoxybutane.
Physical properties of Butane, 2-methoxy- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/BCF (pH 5.5): 6.02; (5)ACD/KOC (pH 5.5): 125.83; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.374; (11)Molar Refractivity: 26.91 cm3; (12)Molar Volume: 117.8 cm3; (13)Surface Tension: 19.6 dyne/cm; (14)Density: 0.748 g/cm3; (15)Enthalpy of Vaporization: 28.69 kJ/mol; (16)Boiling Point: 56.5 °C at 760 mmHg; (17)Vapour Pressure: 239 mmHg at 25°C.
Preparation: this chemical can be prepared by iodomethane, (+-)-butan-2-ol; aluminium tri-sec-butylate at the temperature of 59 - 70°C. This reaction will need solvent dimethylformamide with the reaction time of 2 days. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. You should keep the container tightly closed.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)OC
(2)InChI: InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
(3)InChIKey: FVNIMHIOIXPIQT-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 141gm/m3/15M (141000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC | Anesthesiology. Vol. 11, Pg. 455, 1950. |