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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Isopropylcyclohexanone - ≥96% , CAS No.5432-85-9
Synonyms
NSC 21125 | EINECS 226-592-2 | DTXSID7042063 | FT-0618840 | NSC21125 | NSC-21125 | Cyclohexanone, 4-isopropyl- | MFCD00043479 | ethyl m-bromobenzoate | B02SK72839 | EN300-61099 | JA8S3CU9U5 | SY029297 | 4-propan-2-ylcyclohexan-1-one | Cyclohexanone, 4-(1-
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Why this grade ≥96% 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
NSC 21125 | EINECS 226-592-2 | DTXSID7042063 | FT-0618840 | NSC21125 | NSC-21125 | Cyclohexanone, 4-isopropyl- | MFCD00043479 | ethyl m-bromobenzoate | B02SK72839 | EN300-61099 | JA8S3CU9U5 | SY029297 | 4-propan-2-ylcyclohexan-1-one | Cyclohexanone, 4-(1-
Specifications & Purity
≥96%
Names and Identifiers Pubchem Sid 504755379 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755379 Canonical Smiles CC(C)C1CCC(=O)CC1 IUPAC Name 4-propan-2-ylcyclohexan-1-one InChIKey FPKISACHVIIMRA-UHFFFAOYSA-N INCHI 1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3 Isomeric SMILES CC(C)C1CCC(=O)CC1 Molecular Weight 140.23 Reaxy-Rn 1236952 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236952&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones Direct Parent Cyclic ketones Alternative Parents Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in alcohol. Insoluble in water. Refractive Index 1.4580 Boil Point(°C) 94-96°/17mm Molecular Weight 140.220 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 140.12 Da Monoisotopic Mass 140.12 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 117.000 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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