4-tert-Butylbenzoic acid CAS#: 98-73-7; ChemWhat Code: 1287449
Names & Identifiers |
| Product Name | 4-tert-Butylbenzoic acid |
| Synonyms | 4-TERT-BUTYLBENZOIC ACID;AKOS BBS-00003714;RARECHEM AL BO 0693;PTBBA;P-T-BUTYLBENZOIC ACID;P-TERT-BUTYLBENZOIC ACID;4-(1,1-dimethylethyl)-benzoicaci;4-(1,1-dimethylethyl)benzoicacid |
| CAS Registry Number | 98-73-7 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 |
| EINECS | 202-696-3 |
| Other Registry Numbers | |
| IUPA Names, InChI, InChI Key, Canonical SMILES, etc.: | IUPA Names, InChI, InChI Key, Canonical SMILES, etc. |
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Chemical & Physical Properties |
| Melting point | 162-165 °C(lit.) |
| Boiling Point | 280°C |
| Density | 1.045 g/cm3 (30°C) |
| Refractive Index | 1.5201 (estimate) |
| Flash Point | 180 °C |
| Storage | Store below +30°C. |
| Solubulity | 12.6g/l |
| pka | 4.38(at 25℃) |
| PH | 3.9 (H2O, 20℃)(saturated solution) |
| Water Solubility | 0.07 g/L (20 ºC) |
| BRN | 607545 |
| InChIKey | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| More Properties From PubChem | Topological Polar Surface Area, Monoisotopic Mass, etc. |
| NIST Chemistry Reference | Benzoic acid, p-tert-butyl-(98-73-7) |
| EPA Substance Registry System | Benzoic acid, 4-(1,1-dimethylethyl)-(98-73-7) |
Safety & Hazards(Codes & Phrases) |
| Hazard Codes | Xn,N,T |
| R Phrase | 20/22-62-51/53-48/20/21/22-24 |
| S Phrase | 22-24/25-61-45-36/37/39-28A |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DG4708000 |
| TSCA | Yes |
| Storage Class | 6.1 |
| Packing Group | III |
| HS Code | 29163900 |
| Hazardous Substances Data | 98-73-7(Hazardous Substances Data) |
| More Safety & Hazards From PubChem | Signal, GHS Hazard Statements, Precautionary Statement Codes, etc. |
Literature |
| Literature on PubChem | Synthesis References, Metabolite References, etc. |
Patents |
| Patents on PubChem | Related Patents Of This Product |
Transportation, Storage & Usage |
| Transportation | No Information |
| Storage | No Information |
| Usage | No Information |
Spectral Properties |
| No Information |
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