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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-hydroxy-3-methylbenzoate - ≥97% , CAS No.42113-13-3
Synonyms
FT-0768993 | AKOS005174516 | 4-hydroxy-3-methylbenzoic acid methyl ester | 4-Hydroxy-3-methyl-benzoic acid methyl ester | AMY28228 | METHYL 4-HYDROXY-3-METHYLBENZOATE | Methyl 4-hydroxy-3-methyl-benzoate | DTXSID60459737 | methyl 4-hydroxy-3-methyl-benzoa
Storage
Room temperature,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
FT-0768993 | AKOS005174516 | 4-hydroxy-3-methylbenzoic acid methyl ester | 4-Hydroxy-3-methyl-benzoic acid methyl ester | AMY28228 | METHYL 4-HYDROXY-3-METHYLBENZOATE | Methyl 4-hydroxy-3-methyl-benzoate | DTXSID60459737 | methyl 4-hydroxy-3-methyl-benzoa
Specifications & Purity
≥97%
Storage
Room temperature,Argon charged
Names and Identifiers Canonical Smiles
CC1=C(C=CC(=C1)C(=O)OC)O
IUPAC Name
methyl 4-hydroxy-3-methylbenzoate
InChIKey
QBMHMOKIFSCFCX-UHFFFAOYSA-N
INCHI
1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3
Isomeric SMILES
CC1=C(C=CC(=C1)C(=O)OC)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2830713&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 Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-hydroxybenzoic acid alkyl ester - O-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 166.170 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 166.063 Da Monoisotopic Mass 166.063 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 167.000 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
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