| 4-Butylbenzoic acid Basic information |
| Product Name: | 4-Butylbenzoic acid |
| Synonyms: | RARECHEM AL BO 0542;P-BUTYLBENZOIC ACID;4-butyl-benzoicaci;Benzoic acid, 4-butyl-;p-n-Butylbenzoic acid;4-ButylbenzoicAcid,4BaC11H14O2;4-n-Butylbenzonic acid 99%;4-BUTYLBENZOIC ACID |
| CAS: | 20651-71-2 |
| MF: | C11H14O2 |
| MW: | 178.23 |
| EINECS: | 243-940-9 |
| Product Categories: | Liqiud crystal intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Building blockCarbonyl Compounds;Liquid Crystal intermediates;C11 to C12;Carboxylic Acids;Liquid Crystals;Organic Electronics and Photonics |
| Mol File: | 20651-71-2.mol |
| 4-Butylbenzoic acid Chemical Properties |
| Melting point | 100-113 °C (lit.) |
| Boiling point | 304.71°C (estimate) |
| density | 1.0435 (estimate) |
| refractive index | 1.5201 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.36±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | 148.2mg/L(temperature not stated) |
| BRN | 2044046 |
| CAS DataBase Reference | 20651-71-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Butylbenzoic acid(20651-71-2) |
| EPA Substance Registry System | Benzoic acid, 4-butyl- (20651-71-2) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29163990 |
| MSDS Information |
| Provider | Language |
|---|---|
| 4-Butylbenzoic acid | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 4-Butylbenzoic acid Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALLINE POWDER |
| Uses | Intermediates of Liquid Crystals |
| Synthesis Reference(s) | Journal of Medicinal Chemistry, 32, p. 1757, 1989 DOI: 10.1021/jm00128a016The Journal of Organic Chemistry, 51, p. 2880, 1986 DOI: 10.1021/jo00365a005Tetrahedron Letters, 36, p. 3111, 1995 DOI: 10.1016/0040-4039(95)00485-U |
| 4-Butylbenzoic acid Preparation Products And Raw materials |
| Raw materials | Oxygen-->4-BUTYLBENZYL ALCOHOL-->1-Bromo-4-butylbenzene-->4-N-BUTYLCHLOROBENZENE-->4-N-BUTYLBENZOYL CHLORIDE-->1-(4'-IODOPHENYL)BUTANE-->1-Butyl-4-eth-1-ynylbenzene-->4-Iodobenzoic acid-->carbon monoxide-->CARBON DIOXIDE-->TRIBUTYLBORANE |
| Preparation Products | Benzene, 1-butyl-4-ethyl--->Butylbenzene |
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