3-Phenylbutyric acid
Product Description
| Product | 3-Phenylbutyric acid |
| CAS | 4593-90-2 |
| Formula | C10H12O2; |
| Synonym | ß-Phenyl-n-butyric acid, Benzenepropanoic acid, ß-methyl-, 3-Phenylbutanoic acid, RARECHEM AL BE 0683, BETA-PHENYL-N-BUTYRIC ACID, (+/-)-BETA-METHYLHYDROCINNAMIC ACID, (+/-)-3-PHENYLBUTYRIC ACID, 3-PHENYLBUTYRIC ACID, 3-Phenylbutanoic acid, Benzenepropanoic acid, beta-methyl-, 3-PHENYLBUTYRIC ACID 99%, <li id='ds2'><div>3-Phenylbutyric acid, <li id='ds3'><div>AI3-11112, <li id='ds4'><div>EINECS 224-987-4, <li id='ds5'><div>NSC 177801, </ul></div></div><h3>Systematic Names</h3><div class='yui3-g-r'><div class='yui3-u-1-4'><ul><li id='ds6'><div>3-Phenylbutyric acid, <li id='ds7'><div>Benzenepropanoic acid, beta-methyl- |
Typical Product Specifications
| Molecular weight | 164.20 |
| EINECS | 224-987-4 |
| SMILES | c1([C@@H](CC(O)=O)C)ccccc1 |
| InChI | 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| Atmospheric OH Rate Constant | 8.25E-12 cm3/molecule-sec |
| Water solubility | 2240 mg/L |
| Henry's Law Constant | 7.79E-08 atm-m3/mole |
| log P (octanol-water) | 2.18 |
| Melting Point | 39-37 ° C |
| Vapor Pressure | 1.31E-03 mm Hg |
| BRN Number | 2044322 |
| Melting Point | 35-38 °C |
| Flash Point | 77 °F |
| Boiling Point | 170-172 °C20 mm Hg |
| Density | 1.515 g/mL at 25 °C |
| Class | Specialty Chemicals |
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