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| | (R)-3-Phenylbutyric acid Basic information |
| Product Name: | (R)-3-Phenylbutyric acid | | Synonyms: | (R)-2-Benzylpropanoic acid;[R,(-)]-2-Benzylpropionic acid;[R,(-)]-2-Methyl-3-phenylpropionic acid;(R)-3-Phenylbutyric acid >=98.5% (sum of enantiomers, GC);(R)-BETA-METHYLHYDROCINNAMIC ACID;(r)-β-methylhydrocinnamic acid;(3R)-3-Phenylbutyric acid;(2R)-2-Methyl-3-phenylpropionic acid | | CAS: | 772-14-5 | | MF: | C10H12O2 | | MW: | 164.2 | | EINECS: | | | Product Categories: | | | Mol File: | 772-14-5.mol |  |
| | (R)-3-Phenylbutyric acid Chemical Properties |
| Boiling point | 94-95 °C/0.3 mmHg (lit.) | | density | 1.069 g/mL at 20 °C (lit.) | | refractive index | n20/D 1.517 | | storage temp. | Store at room temperature | | pka | 4.67±0.10(Predicted) | | form | liquid | | Appearance | Colorless to light yellow Liquid | | Optical Rotation | [α]20/D 57±2°, c = 1% in benzene | | BRN | 2501477 | | InChI | 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1 | | InChIKey | ZZEWMYILWXCRHZ-MRVPVSSYSA-N | | SMILES | C[C@H](CC(O)=O)c1ccccc1 |
| Safety Statements | 23-24/25 | | WGK Germany | 3 | | Storage Class | 10 - Combustible liquids |
| | (R)-3-Phenylbutyric acid Usage And Synthesis |
| Chemical Properties | optical purity >99% | | Purification Methods | Purify the acids as the 2-isomer above, i.e. by distillation, but under a good vacuum. [Prelog & Scherrer Helv Chim Acta 42 2227 1959, Levene & Marker J Biol Chem 93 761 1932, 100 685 1933, Cram J Am Chem Soc 74 2137 1952.] The R-amide crystallises from H2O, with m 101.5-102o, and [] 20 -16.5o (c 1.2, EtOH). The racemic acid has m 39-40o, b 134-136o/6mm, 158o/12mm [Marvel et al. J Am Chem Soc 62 3499 1940]. [Beilstein 9 IV 1813.] |
| | (R)-3-Phenylbutyric acid Preparation Products And Raw materials |
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