4-tert-Butylbenzoic acid
Synonym(s):4-tert-Butylbenzoic acid;PTBBA
- CAS NO.：98-73-7
- Empirical Formula: C11H14O2
- Molecular Weight: 178.23
- MDL number: MFCD00002563
- EINECS: 202-696-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is 4-tert-Butylbenzoic acid?
Description
4-tert-Butylbenzoic acid is obtained by the liquid-phase air oxidation of 4-tert-butyltoluene (prepared from toluene and isobutylene). It is a modifier for alkyd resins and a polymerization regulator for polyesters. It is also used as an additive in cutting oils and as a corrosion inhibitor. It is hydrogenated to afford the fragrance 4- tert-butylbenzaldehyde.
Chemical properties
white to slightly yellow flakes
The Uses of 4-tert-Butylbenzoic acid
Corrosion inhibitor in cooling fluids
The Uses of 4-tert-Butylbenzoic acid
4-tert-Butylbenzoic acid was used as a potent yeast sirtuin (Sir2p) inhibitor.
Definition
ChEBI: 4-t-Butylbenzoic acid is an alkylbenzene.
General Description
4-tert-Butylbenzoic acid was determined in water samples by means of liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).
Flammability and Explosibility
Non flammable
Safety Profile
Moderately toxic by ingestion. Experimental reproductive effects. An irritant. Combustible when exposed to heat or flame. Incompatible with oxidzing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Properties of 4-tert-Butylbenzoic acid
| Melting point: | 162-165 °C(lit.) |
| Boiling point: | 280°C |
| Density | 1.045 g/cm3 (30°C) |
| vapor pressure | <0.01 hPa (20 °C) |
| refractive index | 1.5201 (estimate) |
| Flash point: | 180 °C |
| storage temp. | Store below +30°C. |
| solubility | 12.6g/l |
| pka | 4.38(at 25℃) |
| form | Solid |
| color | White to Off-White |
| PH | 3.9 (H2O, 20℃)(saturated solution) |
| Water Solubility | 0.07 g/L (20 ºC) |
| BRN | 607545 |
| CAS DataBase Reference | 98-73-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, p-tert-butyl-(98-73-7) |
| EPA Substance Registry System | p-tert-Butylbenzoic acid (98-73-7) |
Safety information for 4-tert-Butylbenzoic acid
| 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 for 4-tert-Butylbenzoic acid
| InChIKey | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
4-tert-Butylbenzoic acid manufacturer
JSK Chemicals
Vinati Organics Limited
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