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· · COA & SDS available for every product · Same-day shipping on in-stock items Isonaline 70 - 60-70% , CAS No.127-51-5
GRADE & PURITY 60-70%
Synonyms
(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one | A889185 | ISOMETHYLIONONE (ALPHA-) | SCHEMBL160940 | (3E)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | Methyl-.alpha.-isoionone | 9XP4LC555B | DTXSID7027047 | SCHEMBL221684
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Why this grade 60-70% 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 Isonaline 70 is fragrant sensitizer added frequently to deodorants and perfumes. It is one of the allergens responsible for axillary dermatitis.
Specifications Synonyms
(E)-3-methyl-4-(2, 6, 6-trimethylcyclohex-2-enyl)but-3-en-2-one | A889185 | ISOMETHYLIONONE (ALPHA-) | SCHEMBL160940 | (3E)-3-Methyl-4-(2, 6, 6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | Methyl-.alpha.-isoionone | 9XP4LC555B | DTXSID7027047 | SCHEMBL221684
Specifications & Purity
60-70%
Names and Identifiers Pubchem Sid 488195491 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488195491 Canonical Smiles CC1=CCCC(C1C=C(C)C(=O)C)(C)C IUPAC Name (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N INCHI 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ Isomeric SMILES CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C WGK Germany 2 Molecular Weight 206.32 Reaxy-Rn 2692958 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692958&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 Lipids and lipid-like molecules Class Prenol lipids Subclass Sesquiterpenoids Intermediate Tree Nodes Not available Direct Parent Sesquiterpenoids Alternative Parents Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclofarsesane sesquiterpenoid - Megastigmane sesquiterpenoid - Sesquiterpenoid - Ionone derivative - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.5 Molecular Weight 206.320 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 206.167 Da Monoisotopic Mass 206.167 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 318.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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