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 |
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. |
Other Notes: | Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 116807.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
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 |