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6863-58-7

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Basic Information
CAS No.: 6863-58-7
Name: SEC-BUTYL ETHER
Article Data: 15
Molecular Structure:
Molecular Structure of 6863-58-7 (SEC-BUTYL ETHER)
Formula: C8H18 O
Molecular Weight: 130.23
Synonyms: sec-Butylether (6CI,7CI,8CI); Bis(2-butyl) ether; Di-sec-Butyl ether
Density: 0.759 g/mL at 25oC(lit.)
Melting Point: -100°C
Boiling Point: 121oC(lit.)
Flash Point: 78 °F
Hazard Symbols: Xn
Risk Codes: R; R10; R20
Safety: Low toxicity by inhalation. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 9.23000
LogP: 2.60000
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Chemistry

Molecule structure of sec-Butyl ether (CAS NO.6863-58-7) :

IUPAC Name: 2-butan-2-yloxybutane 
Molecular Weight: 130.22792 g/mol
Molecular Formula: C8H18O 
Density: 0.776 g/cm3 
Boiling Point: 123.3 °C at 760 mmHg 
Flash Point: 17.4 °C
Index of Refraction: 1.401
Molar Refractivity: 40.77 cm3
Molar Volume: 167.7 cm3
Polarizability: 16.16×10-24 cm3
Surface Tension: 22.4 dyne/cm 
Enthalpy of Vaporization: 34.06 kJ/mol
Vapour Pressure: 16.2 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Exact Mass: 130.135765
MonoIsotopic Mass: 130.135765
Topological Polar Surface Area: 9.2
Heavy Atom Count: 9
Complexity: 53.6
Canonical SMILES: CCC(C)OC(C)CC
InChI: InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey: HHBZZTKMMLDNDN-UHFFFAOYSA-N
EINECS: 229-961-6

Toxicity Data With Reference

1.    

ihl-mus LC50:130 mg/m3/15M

     ANESAV    Anesthesiology. 11 (1950),455.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by inhalation. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: HarmfulXn
Risk Statements: 10-20 
R10:Flammable. 
R20:Harmful by inhalation.
Safety Statements: 16-7/9 
S16:Keep away from sources of ignition. 
S7:Keep container tightly closed. 
S9:Keep container in a well-ventilated place.
RIDADR: UN 1149 3/PG 3
WGK Germany: 3
RTECS: EQ2220000

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 sec-Butyl ether (CAS NO.6863-58-7) is also called 0-01-00-00372 (Beilstein Handbook Reference) ; 2,2'-Oxybisbutane ; BRN 1733014 ; Bis(2-butyl)ether ; Di-sec-butyl ether ; Butane, 2,2'-oxybis- . sec-Butyl ether (CAS NO.6863-58-7) is high toxic. It is flammable by fire, heat and oxidants. It will produce toxic spicy smoke stimulation by heat. So the storage environment should be ventilate, low-temperature and dry. Keep sec-Butyl ether (CAS NO.6863-58-7) separate from raw materials of food and oxidants.