4-tert-butyl benzoic acid
4-(1,1-dimethylethyl)benzoic acid
Identification
| Name | 4-tert-butyl benzoic acid |
| IUPAC | 4-tert-butylbenzoic acid |
| CAS Number | 98-73-7 |
| EINECS | 202-696-3 |
| FDA UNII | 43Z7T3VN0R |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00002563 |
| Nikkaji Number | J35.624G |
| Beilstein | 0607545 |
| XlogP3 | 3.90 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 164.50 °C. @ 760.00 mm Hg |
| Boiling Point | 283.34 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 275.00 °F. TCC ( 134.90 °C. ) (est) |
| logP (o/w) | 3.850 |
| Soluble in | water, 28 mg/L @ 25 °C (exp) |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | antimicrobial agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 242 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 900 mg/kg |
| Inhalation Toxicity | inhalation-rat LC50 > 1900 mg/m3/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nBLOOD: HEMORRHAGE\nBEHAVIORAL: TREMOR']
Safety in Use
| Category | antimicrobial agents |
| Recommendation for 4-tert-butyl benzoic acid usage levels up to | not for fragrance use. |
| Recommendation for 4-tert-butyl benzoic acid flavor usage levels up to | not for flavor use. |
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