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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-tert-Amylphenol - ≥99% , CAS No.80-46-6
Synonyms
p-tertamylphenol | p-tert-Amylphenol | 6NP9LYK846 | AC-16506 | BRN 1908224 | NCGC00091655-01 | p-(tert-Amyl)phenol | Phenol, p-(tert-pentyl)- | NCGC00091655-05 | UNII-6NP9LYK846 | AI3-00460 | HSDB 5236 | Pentaphen 67 | AMYLPHENOL, P-TERT- | tert-Amylpheno
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Why this grade ≥99% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Application：
4-tert-Amylphenol was used as an esterogen receptor (ER) ligand.
Specifications Synonyms
p-tertamylphenol | p-tert-Amylphenol | 6NP9LYK846 | AC-16506 | BRN 1908224 | NCGC00091655-01 | p-(tert-Amyl)phenol | Phenol, p-(tert-pentyl)- | NCGC00091655-05 | UNII-6NP9LYK846 | AI3-00460 | HSDB 5236 | Pentaphen 67 | AMYLPHENOL, P-TERT- | tert-Amylpheno
Specifications & Purity
≥99%
Names and Identifiers Pubchem Sid 488180118 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180118 Canonical Smiles CCC(C)(C)C1=CC=C(C=C1)O IUPAC Name 4-(2-methylbutan-2-yl)phenol InChIKey NRZWYNLTFLDQQX-UHFFFAOYSA-N INCHI 1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 Isomeric SMILES CCC(C)(C)C1=CC=C(C=C1)O WGK Germany 2 RTECS SM6825000 PubChem CID 6643 UN Number 2430 Packing Group I Molecular Weight 164.25 Beilstein 6(4)3383 Reaxy-Rn 1908224
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 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - 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 alkylbenzene 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 Boil Point(°C) 262 °C Melt Point(°C) 93.0 - 97.0 °C Molecular Weight 164.240 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 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 132.000 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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