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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Isopropoxybenzoic Acid - ≥98%(GC) , CAS No.13205-46-4
Synonyms
4-Isopropoxybenzoic acid, 99% | cid_72972 | AKOS000109267 | J-006113 | SY048563 | F3146-0089 | EINECS 236-169-4 | 4-isopropoxylbenzoic acid | SMR000528168 | BBL012037 | EN300-17039 | SCHEMBL503642 | NSC16646 | NSC-16646 | Enamine_004238 | Acetanilide, 2-m
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Why this grade ≥98%(GC) 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
4-Isopropoxybenzoic acid, 99% | cid_72972 | AKOS000109267 | J-006113 | SY048563 | F3146-0089 | EINECS 236-169-4 | 4-isopropoxylbenzoic acid | SMR000528168 | BBL012037 | EN300-17039 | SCHEMBL503642 | NSC16646 | NSC-16646 | Enamine_004238 | Acetanilide, 2-m
Specifications & Purity
≥98%(GC)
Names and Identifiers Pubchem Sid 488184747 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184747 Canonical Smiles CC(C)OC1=CC=C(C=C1)C(=O)O IUPAC Name 4-propan-2-yloxybenzoic acid InChIKey ZVERWTXKKWSSHH-UHFFFAOYSA-N INCHI 1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12) Isomeric SMILES CC(C)OC1=CC=C(C=C1)C(=O)O WGK Germany 3 Molecular Weight 180.2 Reaxy-Rn 2717878 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717878&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) 163 °C Molecular Weight 180.200 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 180.079 Da Monoisotopic Mass 180.079 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 169.000 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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