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98-73-7

98-73-7 structural image
Product Name: 4-tert-Butylbenzoic acid
Formula: C11H14O2
Synonyms: 4-tert-Butylbenzoic acid;PTBBA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder; Dry Powder, Pellets or Large Crystals; Other Solid; Pellets or Large Crystals
Color/Form NEEDLES FROM DILUTE ALCOHOL
Melting Point 164.5-165.5 °C
Flash Point 158 °C
Solubility INSOL IN WATER; VERY SOL IN ALCOHOL & BENZENE
Vapor Pressure 0.000636 [mmHg]
Ionization Efficiency Negative
Kovats Retention Index 1486 1472
Chemical Classes Other Classes -> Benzoic Acid Derivatives

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 178.099379685 g/mol
Monoisotopic Mass 178.099379685 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 183
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

4-t-Butylbenzoic acid is an alkylbenzene.

RELATED SUPPLIERS

Vinati Organics Limited

1Y
product:p-tert-Butyl benzoic Acid 98%

Privi Speciality Chemicals Ltd.

1Y
product:p-tert-Butyl benzoic Acid 98%
All suppliers(2)