≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application：
alpha-Isopropylphenylacetic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
| Pubchem Sid | 488182519 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182519 |
| Canonical Smiles | CC(C)C(C1=CC=CC=C1)C(=O)O |
| IUPAC Name | 3-methyl-2-phenylbutanoic acid |
| InChIKey | HDLQGISFYDYWFJ-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13) |
| Isomeric SMILES | CC(C)C(C1=CC=CC=C1)C(=O)O |
| Molecular Weight | 178.23 |
| Reaxy-Rn | 2045915 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045915&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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2319709 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| D2319717 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| D2319735 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| D2319736 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| D2319747 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| D2319758 | Certificate of Analysis | Feb 04, 2026 | I354667 |
| K2427498 | Certificate of Analysis | Jun 24, 2024 | I354667 |
| K2427499 | Certificate of Analysis | Jun 24, 2024 | I354667 |
| Solubility | Slightly soluble in water. |
|---|---|
| Melt Point(°C) | 59-61° C |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
