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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(tert-Butyl)-2-methylphenol - ≥97% , CAS No.98-27-1
Synonyms
EN300-20901 | EINECS 202-651-8 | NCIOpen2_001766 | o-Cresol, 4-tert-butyl- | 4-tert-Butyl-2-methylphenol | 4-tert-Butyl-2-methyl-phenol | SCHEMBL171132 | SY113193 | AKOS000120802 | AS-10366 | FT-0654442 | 4-tert-Butyl-o-cresol | 4-(tert-Butyl)-2-methylphe
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
EN300-20901 | EINECS 202-651-8 | NCIOpen2_001766 | o-Cresol, 4-tert-butyl- | 4-tert-Butyl-2-methylphenol | 4-tert-Butyl-2-methyl-phenol | SCHEMBL171132 | SY113193 | AKOS000120802 | AS-10366 | FT-0654442 | 4-tert-Butyl-o-cresol | 4-(tert-Butyl)-2-methylphe
Specifications & Purity
≥97%
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles CC1=C(C=CC(=C1)C(C)(C)C)O IUPAC Name 4-tert-butyl-2-methylphenol InChIKey SNKLPZOJLXDZCW-UHFFFAOYSA-N INCHI 1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3 Isomeric SMILES CC1=C(C=CC(=C1)C(C)(C)C)O WGK Germany 3 RTECS SK1578400 PubChem CID 7379 Molecular Weight 164.24 Beilstein 1817500
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 Phenylpropanes Intermediate Tree Nodes Not available Direct Parent Phenylpropanes Alternative Parents Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 164.240 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 164.12 Da Monoisotopic Mass 164.12 Da Topological Polar Surface Area 20.200 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 146.000 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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