98-73-7
Product Name:
4-tert-Butylbenzoic acid
Formula:
C11H14O2
Synonyms:
4-tert-Butylbenzoic acid;PTBBA
Inquiry
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.