≥98%(GC) 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 | 488181553 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181553 |
| Canonical Smiles | CC1=CC(=CC=C1)CC(=O)O |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChIKey | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| Isomeric SMILES | CC1=CC(=CC=C1)CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 150.18 |
| Reaxy-Rn | 2043549 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043549&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 | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - 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 toluenes. These are compounds containing a benzene ring which bears a methane group. |
| 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 |
|---|---|---|---|
 J2128446 | Certificate of Analysis | Aug 11, 2025 | M158763 |
| J2128448 | Certificate of Analysis | Aug 11, 2025 | M158763 |
| J2128450 | Certificate of Analysis | Aug 11, 2025 | M158763 |
| J2128451 | Certificate of Analysis | Aug 11, 2025 | M158763 |
| K1920053 | Certificate of Analysis | Sep 06, 2023 | M158763 |
| D2320141 | Certificate of Analysis | Jun 09, 2021 | M158763 |
| D2320155 | Certificate of Analysis | Jun 09, 2021 | M158763 |
| Solubility | Soluble in water. |
|---|---|
| Melt Point(°C) | 62-66℃ |
| Molecular Weight | 150.170 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.068 Da |
| Monoisotopic Mass | 150.068 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Shiwei Xu, Yue Liu, Yejing Li, Mengyan Cao, QingLi Wu, Bingyun Ma, Jiayi Zhang, Qiu Fang, Liquan Chen, Zhaoxiang Wang, Tao Cheng, Xuefeng Wang. (2024) Degradation Mechanism and Enhanced Stability of Organolithium for Chemical Lithiation. Advanced Energy Materials, [PMID:] [10.1002/aenm.202402941] |
