3-Phenylbutyric acid
ALDRICH/116807 - 98%
Synonym: (±)-3-Phenylbutyric acid; (±)-β-Methylhydrocinnamic acid
CAS Number: 4593-90-2
Empirical Formula (Hill Notation): C10H12O2
Molecular Weight: 164.20
EC Number: 224-987-4
MDL Number: MFCD00002725
Linear Formula: CH3CH(C6H5)CH2COOH
Product Type: Chemical
| assay | 98% |
| bp | 170-172 °C/20 mmHg (lit.) |
| density | 1.515 g/mL at 25 °C (lit.) |
| form | solid |
| functional group | carboxylic acid |
| phenyl | |
| InChI | 1S/C10H12O2/c1-8(7-10(11) |
| InChI key | ZZEWMYILWXCRHZ-UHFFFAOYSA |
| mp | 35-38 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | CC(CC(O)=O)c1ccccc1 |
| Application: | 3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil. |
| General description: | 3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene. |
| Packaging: | 5, 25 g in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| bp | 170-172 °C/20 mmHg (lit.) |
| mp | 35-38 °C (lit.) |
| Density | 1.515 g/mL at 25 °C (lit.) |
| UNSPSC | 12352100 |

