CAS 536-66-3|4-Isopropylbenzoic acid
| Common Name | 4-Isopropylbenzoic acid | ||
|---|---|---|---|
| CAS Number | 536-66-3 | Molecular Weight | 164.201 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 271.8±19.0 °C at 760 mmHg |
| Molecular Formula | C10H12O2 | Melting Point | 117-120 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 128.1±16.2 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | p-cumic acid |
|---|---|
| Synonym | More Synonyms |
4-Isopropylbenzoic acid BiologicalActivity
| Description | 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Fungal |
| References | [1]. Jayasinghe L, et, al. Antifungal constituents of the stem bark of Bridelia retusa. Phytochemistry. 2003 Feb;62(4):637-41. [2]. Huang XH, et, al. Inhibition of the activity of mushroom tyrosinase by alkylbenzoic acids. Food Chemistry. 2006 Jan; 94(1): 1-6. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 271.8±19.0 °C at 760 mmHg |
| Melting Point | 117-120 °C(lit.) |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.201 |
| Flash Point | 128.1±16.2 °C |
| Exact Mass | 164.083725 |
| PSA | 37.30000 |
| LogP | 3.23 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.535 |
| InChIKey | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(C(=O)O)cc1 |
| Water Solubility | sparingly soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,215,1954
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36-S36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DH3850500 |
| HS Code | 2916399090 |
Customs
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles20
More Articles| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorg. Med. Chem. 15 , 2006-15, (2007) Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-q... | |
| Anaerobic activation of p-cymene in denitrifying betaproteobacteria: methyl group hydroxylation versus addition to fumarate. Appl. Environ. Microbiol. 80(24) , 7592-603, (2014) The betaproteobacteria "Aromatoleum aromaticum" pCyN1 and "Thauera" sp. strain pCyN2 anaerobically degrade the plant-derived aromatic hydrocarbon p-cymene (4-isopropyltoluene) under nitrate-reducing c... | |
| Bacterial metabolism of side chain fluorinated aromatics: cometabolism of 4-trifluoromethyl(TFM)-benzoate by 4-isopropylbenzoate grown Pseudomonas putida JT strains. Arch. Microbiol. 149(3) , 198-206, (1988) Enzymes of the p-cymene pathway in Pseudomonas putida strains cometabolized the intermediate analogue 4-trifluoromethyl(TFM)benzoate. Three products, 4-TFM-2,3-dihydro-2,3-dihydroxybenzoate, 4-TFM-2,3... |
Synonyms
| p-cumic acid |
| EINECS 208-642-5 |
| cumic acid |
| Benzoic acid, 4-(1-methylethyl)- |
| 4-propan-2-ylbenzoic acid |
| 4-Isopropylbenzoic acid |
| p-Isopropylbenzoic acid |
| CuMinic Acid |
| MFCD00002564 |
