≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504751224 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751224 |
| Canonical Smiles | CCC(C1=CC=CC=C1)C(=O)O |
| IUPAC Name | 2-phenylbutanoic acid |
| InChIKey | OFJWFSNDPCAWDK-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) |
| Isomeric SMILES | CCC(C1=CC=CC=C1)C(=O)O |
| WGK Germany | 3 |
| RTECS | ET5957500 |
| Molecular Weight | 164.2 |
| Beilstein | 509876 |
| Reaxy-Rn | 509876 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509876&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | monocarboxylic acid - benzenes |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2225259 | Certificate of Analysis | Mar 11, 2026 | P101732 |
| E2225260 | Certificate of Analysis | Mar 11, 2026 | P101732 |
| E2225262 | Certificate of Analysis | Mar 11, 2026 | P101732 |
| E2225263 | Certificate of Analysis | Mar 11, 2026 | P101732 |
| F2523630 | Certificate of Analysis | Jul 07, 2025 | P101732 |
| F2523690 | Certificate of Analysis | Jul 07, 2025 | P101732 |
| G2017126 | Certificate of Analysis | May 07, 2024 | P101732 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 270-272°C |
| Melt Point(°C) | 39-42°C |
| Molecular Weight | 164.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.084 Da |
| Monoisotopic Mass | 164.084 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Weifeng Xu, Guilin Dai, Kewen Tang, Panliang Zhang, Biquan Xiong, Yu Liu. (2017) Equilibrium of liquid-liquid extraction of 2-phenylbutyric acid enantiomers: Experiment and model. CHINESE JOURNAL OF CHEMICAL ENGINEERING, [PMID:] [10.1016/j.cjche.2017.09.002] |
