4-Butylbenzoic acid
- CAS NO.：20651-71-2
- Empirical Formula: C11H14O2
- Molecular Weight: 178.23
- MDL number: MFCD00002571
- EINECS: 243-940-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-14 20:10:21
What is 4-Butylbenzoic acid?
Chemical properties
WHITE CRYSTALLINE POWDER
The Uses of 4-Butylbenzoic acid
Intermediates of Liquid Crystals
Synthesis Reference(s)
Journal of Medicinal Chemistry, 32, p. 1757, 1989 DOI: 10.1021/jm00128a016
The Journal of Organic Chemistry, 51, p. 2880, 1986 DOI: 10.1021/jo00365a005
Tetrahedron Letters, 36, p. 3111, 1995 DOI: 10.1016/0040-4039(95)00485-U
Properties of 4-Butylbenzoic acid
| 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 for 4-Butylbenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H402:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Butylbenzoic acid
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