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98-51-1

98-51-1 structural image
Product Name: 4-tert-Butyltoluene
Formula: C11H16
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description P-tert-butyltoluene is a clear colorless liquid with an aromatic gasoline-like odor. (NTP, 1992)
Color/Form CLEAR, COLORLESS LIQ
Odor DISTINCT AROMATIC ODOR
Boiling Point 379 °F at 760 mmHg (NTP, 1992)
Melting Point -62 °F (NTP, 1992)
Flash Point 136 °F (NTP, 1992)
Solubility less than 1 mg/mL at 63 °F (NTP, 1992)
Density 0.8612 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density 4.62 (AIR= 1)
Vapor Pressure less than or equal to 1 mmHg at 68 °F (NTP, 1992)
LogP 4.35
Autoignition Temperature 510 °C
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Ionization Potential 8.28 eV
Odor Threshold Odor Threshold Low: 5.0 [mmHg] Odor threshold (recognition) from CHEMINFO
Refractive Index INDEX OF REFRACTION: 1.4918 @ 20 °C
Kovats Retention Index 1072.5 1079.5 1079 1073.37 1077.11 1079.53 1076 1091.95 1072 1072 1085 1091 1097 1076 1084.6 1091.3 1097.3 1072.2 1094 1117 1081 1091 1091 1094.9 1091.2 1092 1078 1076
Chemical Classes Solvents -> Aromatic Solvents

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 148.24 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 148.125200510 g/mol
Monoisotopic Mass 148.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 111
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

P-tert-butyltoluene is a clear colorless liquid with an aromatic gasoline-like odor. (NTP, 1992)