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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(Hexyloxy)benzoic Acid - ≥98% , CAS No.1142-39-8
Synonyms
NCGC00246149-01 | 4-n-Hexyloxybenzoic acid | 4-n-hexyloxy-benzoic acid | AE-641/02589025 | SR-01000357681 | 4-hexoxybenzoic acid | EN300-17038 | p-(n-Hexoxy)benzoic acid | component of Aklomix | Z56862725 | 4-hexyloxy benzoic acid | DTXSID2061563 | P8J3U7
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
NCGC00246149-01 | 4-n-Hexyloxybenzoic acid | 4-n-hexyloxy-benzoic acid | AE-641/02589025 | SR-01000357681 | 4-hexoxybenzoic acid | EN300-17038 | p-(n-Hexoxy)benzoic acid | component of Aklomix | Z56862725 | 4-hexyloxy benzoic acid | DTXSID2061563 | P8J3U7
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488184605 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184605 Canonical Smiles CCCCCCOC1=CC=C(C=C1)C(=O)O IUPAC Name 4-hexoxybenzoic acid InChIKey HBQUXMZZODHFMJ-UHFFFAOYSA-N INCHI 1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15) Isomeric SMILES CCCCCCOC1=CC=C(C=C1)C(=O)O Molecular Weight 222.28 Reaxy-Rn 2210618 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210618&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 Not available Direct Parent Benzoic acids Alternative Parents Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - 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 benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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 Melt Point(°C) 155 °C Molecular Weight 222.280 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 7 Exact Mass 222.126 Da Monoisotopic Mass 222.126 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 195.000 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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