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98-06-6

98-06-6 structural image
Product Name: tert-Butylbenzene
Formula: C10H14
Synonyms: 2-Methyl-2-phenylpropane
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Hawley]
Color/Form Liquid
Boiling Point 169.1 °C
Melting Point -57.8 °C
Flash Point 140 °F (60 °C) OPEN CUP
Solubility Miscible with alc, ether, benzene
Density 0.8669 @ 20 °C/4 °C
Vapor Density 4.62 (Air= 1)
Vapor Pressure 2.2 [mmHg]
LogP log Kow= 4.11
Autoignition Temperature 842 °F (450 °C)
Decomposition When heated to decomposition it emits acrid smoke and fumes.
Refractive Index Index of refraction: 1.49235 @ 20 °C/D
Kovats Retention Index 981 988 972.4 979.3 979.1 978 972.82 976.53 978.96 976 983.22 975 975 986.9 992.5 980.9 986 987 1008 1010 982 986 986 987 988 974.9 975.4 980 1008 1001 988 994 976 1000.9 987.6 993.5 975.4 977 984 984 1001 988 988 994 986.3 984 975 980 988.6 973 986 991 994 971 975 975 980 986.4 991.7 991.9 993.8 1008 961 985 1000 994
Other Experimental Properties Odorous /monobutylbenzenes/
Chemical Classes Solvents -> Aromatic Solvents

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226: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 134.22 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 134.109550447 g/mol
Monoisotopic Mass 134.109550447 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 91.1
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

tert-Butylbenzene is a natural product found in Chrysanthemum indicum and Gossypium hirsutum with data available.

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