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| | 4-tert-Butylbenzoic acid Basic information |
| | 4-tert-Butylbenzoic acid Chemical Properties |
| Melting point | 162-165 °C(lit.) | | Boiling point | 280°C | | bulk density | 340kg/m3 | | density | 1.045 g/cm3 (30°C) | | vapor pressure | <0.01 hPa (20 °C) | | refractive index | 1.5201 (estimate) | | Fp | 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 | | Henry's Law Constant | 3.5×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) | | Cosmetics Ingredients Functions | PERFUMING
FRAGRANCE | | InChI | 1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) | | InChIKey | KDVYCTOWXSLNNI-UHFFFAOYSA-N | | SMILES | CC(C)(C)c1ccc(cc1)C(O)=O | | LogP | 3.4 at 21℃ | | 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) |
| Hazard Codes | Xn,N,T | | Risk Statements | 20/22-62-51/53-48/20/21/22-24 | | Safety Statements | 22-24/25-61-45-36/37/39-28A | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | RTECS | DG4708000 | | Autoignition Temperature | >510 °C | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29163900 | | Storage Class | 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Repr. 1B
STOT RE 1 | | Hazardous Substances Data | 98-73-7(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 473 - 735 mg/kg |
| | 4-tert-Butylbenzoic acid Usage And Synthesis |
| 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 | | Uses | Corrosion inhibitor in cooling fluids | | Uses | 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. |
| | 4-tert-Butylbenzoic acid Preparation Products And Raw materials |
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