≥98% 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756269 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756269 |
| Canonical Smiles | C1=CC=C(C=C1)C(CC(=O)O)C(=O)O |
| IUPAC Name | 2-phenylbutanedioic acid |
| InChIKey | LVFFZQQWIZURIO-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14) |
| Isomeric SMILES | C1=CC=C(C=C1)C(CC(=O)O)C(=O)O |
| WGK Germany | 3 |
| Alternate CAS | 10424-29-0 |
| Molecular Weight | 194.18 |
| Beilstein | 1875051 |
| Reaxy-Rn | 1875051 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875051&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 | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - 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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| 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 |
|---|---|---|---|
 K2125192 | Certificate of Analysis | Sep 08, 2025 | P101641 |
| F2622051 | Certificate of Analysis | May 12, 2025 | P101641 |
| I2515257 | Certificate of Analysis | May 12, 2025 | P101641 |
| I2515413 | Certificate of Analysis | May 12, 2025 | P101641 |
| I2404418 | Certificate of Analysis | Aug 24, 2024 | P101641 |
| I2405613 | Certificate of Analysis | Aug 24, 2024 | P101641 |
| C1610413 | Certificate of Analysis | Nov 01, 2023 | P101641 |
| K2307294 | Certificate of Analysis | Oct 26, 2023 | P101641 |
| I1521025 | Certificate of Analysis | May 08, 2023 | P101641 |
| D1912035 | Certificate of Analysis | Feb 07, 2023 | P101641 |
| I2226121 | Certificate of Analysis | Jul 03, 2022 | P101641 |
| I2226122 | Certificate of Analysis | Jul 03, 2022 | P101641 |
| I2226123 | Certificate of Analysis | Jul 03, 2022 | P101641 |
| I2226124 | Certificate of Analysis | Jul 03, 2022 | P101641 |
| Melt Point(°C) | 166-168°C |
|---|---|
| Molecular Weight | 194.180 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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. Rong Yang, Hongwei Cao, Pengliang Zhang, Li Chen, Guoxiang Zou, Xin Zhang, Jinchun Li. (2020) Highly Toughened and Heat-Resistant Poly(lactic acid) with Balanced Strength Using an Unsaturated Liquid Crystalline Polyester via Dynamic Vulcanization. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.0c01095] |
| 2. Rong Yang, Hongwei Cao, Weilong Chen, Lv Ding, Li Chen, Xin Zhang, Jinchun Li. (2020) An efficient liquid crystalline ionomer β-nucleating agent featuring π-π stacking and ionic interactions for isotactic polypropylene. Polymer Crystallization, 3 (3): (e10125). [PMID:] [10.1002/pcr2.10125] |
| 3. Weilong Chen, Kun Wu, Bingfei Nan, Mangeng Lu. (2019) High thermal conductivity and excellent flexibility of crystalline polyesters with flexible segments in main chains. REACTIVE & FUNCTIONAL POLYMERS, [PMID:] [10.1016/j.reactfunctpolym.2019.104370] |
| 4. Weilong Chen, Kun Wu, Zhencai Qu, Mangeng Lu. (2019) Intrinsic high thermal conductive co-polyester based on offset π-π stacking. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2019.109275] |
| 5. Hang Li, Rong Yang, Yating Peng, Hongwei Cao, Jinchun Li. (2019) Preparation of liquid crystalline polymer networks containing a cinnamyl group in the main chain with tunable thermal actuation behavior. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 57 (14): (904-911). [PMID:] [10.1002/polb.24845] |
| 6. Hai-Yi Zhong, Li Chen, Xiao-Feng Liu, Rong Yang, Yu-Zhong Wang. (2017) Novel liquid crystalline copolyester containing amphi-mesogenic units toward multiple stimuli-response behaviors. Journal of Materials Chemistry C, 5 (37): (9702-9711). [PMID:] [10.1039/C7TC02393F] |
| 7. Hai-Yi Zhong, Li Chen, Rong Yang, Zhi-Ying Meng, Xiao-Min Ding, Xiao-Feng Liu, Yu-Zhong Wang. (2017) Azobenzene-containing liquid crystalline polyester with π–π interactions: diverse thermo- and photo-responsive behaviours. Journal of Materials Chemistry C, 5 (13): (3306-3314). [PMID:] [10.1039/C6TC05493E] |
| 8. Feng Liu, Linsheng Wang, Simeng Xiang, Xiang Lin, Jiao Feng, Hongyu Yang, Xiaming Feng, Chaojun Wan. (2024) A Curing Agent for Facile Fabrication of Intrinsically Flame-Retardant Epoxy Vitrimers with Catalyst-Free Mixed Carboxylate/Phosphonate Transesterification. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.4c01048] |
| 9. Yahui Wang, Shufen Ye, Shasha Li, Yanqing Li, Rong Yang. (2025) Stress-Free Two-Way Liquid Crystalline–Semicrystalline Shape Memory Copolymer Actuators with Multistimuli-Responsive Actuation Behaviors. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.4c02171] |
| 10. Weilong Chen, Kun Wu, Zhiyou Tan, Mangeng Lu. (2019) Significant enhancement of thermal conductivity in graphite/polyester composite via interfacial π–π interaction. POLYMER INTERNATIONAL, 69 (4): (346-354). [PMID:] [10.1002/pi.5956] |
