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1634-04-4

1634-04-4 structural image
Product Name: tert-Butyl methyl ether
Formula: C5H12O
Synonyms: MTBE;TBME;tert-Butyl methyl ether;Boc-Arg(Mtr)-OH;Methyl tert-butyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyl tert-butyl ether appears as a colorless liquid with a distinctive anesthetic-like odor. Vapors are heavier than air and narcotic. Boiling point 131 °F. Flash point 18 °F. Less dense than water and miscible in water. Used as a octane booster in gasoline.
Color/Form Liquid
Odor Terpene-like odor
Boiling Point 131.4 °F at 760 mmHg (USCG, 1999)
Melting Point -164.2 °F (USCG, 1999)
Flash Point -14 °F (USCG, 1999)
Solubility Solubility of water in methyl t-butyl ether: 1.5 g/100 g; unstable in acid solution
Density 0.7405 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density Relative vapor density (air = 1): 3.0
Vapor Pressure 250.0 [mmHg]
LogP log Kow = 0.94
Henry's Law Constant Henry's Law constant = 5.87X10-4 atm-cu m/mole at 25 °C
Stability/Shelf Life Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
Autoignition Temperature 435 °C
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of Combustion 101,000 btu/gal at 25 °C (804 kcal/mole)
Heat of Vaporization 145 btu/lb at 55 °C (7 kcal/mole)
Odor Threshold Odor Threshold Low: 0.05 [mmHg] Odor Threshold High: 0.13 [mmHg] Odor thresholds from CHEMINFO
Refractive Index Index of refraction = 1.3664 at 25 °C/D
Dissociation Constants pKa = -3.70
Kovats Retention Index 570.12 562.7 563.7 568 562 566 566 567 563 568.3 556 570 554 556.1 561.3 560 556 556 556 558 560
Other Experimental Properties Specific gravity: 0.741 at 20 °C/4 °C
Chemical Classes Solvents -> Ethers (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 88.15 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 88.088815002 g/mol
Monoisotopic Mass 88.088815002 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 33.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl tert-butyl ether (MTBE) is a flammable liquid with a distinctive, disagreeable odor. It is made from blending chemicals such as isobutylene and methanol, and has been used since the 1980s as an additive for unleaded gasolines to achieve more efficient burning.MTBE is also used to dissolve gallstones. Patients treated in this way have MTBE delivered directly to their gall bladders through special tubes that are surgically inserted.

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