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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl atratate - ≥98% , CAS No.4707-47-5
Synonyms
SCHEMBL113732 | FT-0628828 | methyldioctadecylamine | Q15634313 | Methyl atrarate | MFCD00157202 | STK021597 | Atraric acid | Ethanone, 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromo- | Methyl atratate, >=98% | beta-Resorcyclic acid, 3,6-dimethyl-, methyl este
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
SCHEMBL113732 | FT-0628828 | methyldioctadecylamine | Q15634313 | Methyl atrarate | MFCD00157202 | STK021597 | Atraric acid | Ethanone, 1, 1'-(1, 1'-biphenyl)-4, 4'-diylbis(2-bromo- | Methyl atratate, >=98% | beta-Resorcyclic acid, 3, 6-dimethyl-, methyl este
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488185577 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185577 Canonical Smiles CC1=CC(=C(C(=C1C(=O)OC)O)C)O IUPAC Name methyl 2,4-dihydroxy-3,6-dimethylbenzoate InChIKey UUQHKWMIDYRWHH-UHFFFAOYSA-N INCHI 1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 Isomeric SMILES CC1=CC(=C(C(=C1C(=O)OC)O)C)O WGK Germany 2 Molecular Weight 196.2 Reaxy-Rn 2099269 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2099269&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Benzoic acid esters - p-Hydroxybenzoic acid esters Direct Parent p-Hydroxybenzoic acid alkyl esters Alternative Parents o-Hydroxybenzoic acid esters Salicylic acid and derivatives p-Xylenols p-Xylenes Resorcinols Ortho cresols Benzoyl derivatives Meta cresols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - P-xylenol - Xylenol - Benzoyl - P-xylene - Xylene - M-cresol - O-cresol - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 196.200 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 196.074 Da Monoisotopic Mass 196.074 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 216.000 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
Documents & Articles Citations of This Product References 1. Mengxin Li, Wanqi Wu, Zhihao Ma, Shasha Zhang, Tianyue Guan, Jun Wang, Long Chen, Wanyi Xu, Hong Yu, Huizhen Chen, Jingquan Dong. (2025) Atraric acid alleviates chronic intermittent hypoxia-induced renal fibrosis by inhibiting oxidative stress and ferroptosis in obstructive sleep apnea mice through the Nrf2/GPX4 pathway. CELLULAR SIGNALLING, [PMID:40754121 ] [10.1016/j.cellsig.2025.112040 ] 2. Jingjing Chen, Lu Zhou, Mengxin Li, Jun Wang, Yaru Chen, Jing Xia, Yue Lin, Huizhen Chen, Zibo Dong. (2025) Atraric acid attenuates chronic intermittent hypoxia-induced lung injury by inhibiting ferroptosis through activation of the NRF2 pathway. TOXICOLOGY AND APPLIED PHARMACOLOGY, [PMID:40897231 ] [10.1016/j.taap.2025.117540 ] 3. Mengxin Li, Jun Wang, Zihan Xu, Yue Lin, Jingquan Dong. (2025) Atraric Acid Attenuates Chronic Intermittent Hypoxia-Induced Brain Injury via AMPK-Mediated Nrf2 and FoxO3a Antioxidant Pathway Activation. PHYTOMEDICINE, [PMID:40975041 ] [10.1016/j.phymed.2025.157261 ]
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