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Butane, 2-methoxy-

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Name

Butane, 2-methoxy-

EINECS N/A
CAS No. 6795-87-5 Density 0.748 g/cm3
PSA 9.23000 LogP 1.43130
Solubility N/A Melting Point N/A
Formula C5H12O Boiling Point 56.5 °C at 760 mmHg
Molecular Weight 88.1497 Flash Point -22 °F
Transport Information UN 2350 Appearance N/A
Safety 7-16 Risk Codes 11
Molecular Structure Molecular Structure of 6795-87-5 (2-Methoxybutane) Hazard Symbols FlammableF,IrritantXi
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;

Article Data 4

Butane, 2-methoxy- 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%.

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.

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