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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,1,4-Trimethylcyclohexane - ≥98%(GC) , CAS No.7094-27-1
Synonyms
T72861 | InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 | 1,1,4-Trimethylcyclohexane | DTXSID50221167 | T0823 | UIWORXHEVNIOJG-UHFFFAOYSA-N | Cyclohexane, 1,1,4-trimethyl- | UIWORXHEVNIOJG-UHFFFAOYSA- | MFCD00058950 | 1,1,4-Trimethyl cyclohexane | FT-
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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
T72861 | InChI=1/C9H18/c1-8-4-6-9(2, 3)7-5-8/h8H, 4-7H2, 1-3H3 | 1, 1, 4-Trimethylcyclohexane | DTXSID50221167 | T0823 | UIWORXHEVNIOJG-UHFFFAOYSA-N | Cyclohexane, 1, 1, 4-trimethyl- | UIWORXHEVNIOJG-UHFFFAOYSA- | MFCD00058950 | 1, 1, 4-Trimethyl cyclohexane | FT-
Specifications & Purity
≥98%(GC)
Names and Identifiers Canonical Smiles CC1CCC(CC1)(C)C IUPAC Name 1,1,4-trimethylcyclohexane InChIKey UIWORXHEVNIOJG-UHFFFAOYSA-N INCHI 1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 Isomeric SMILES CC1CCC(CC1)(C)C PubChem CID 35365 Molecular Weight 126.24 Reaxy-Rn 1900455
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 Hydrocarbons Class Saturated hydrocarbons Subclass Cycloalkanes Intermediate Tree Nodes Not available Direct Parent Cycloalkanes Alternative Parents Not available Molecular Framework Aliphatic homomonocyclic compounds Substituents Cycloalkane - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). 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 Refractive Index 1.43 Flash Point(°C) 25 °C Boil Point(°C) 135°C(lit.) Molecular Weight 126.240 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0 Rotatable Bond Count 0 Exact Mass 126.141 Da Monoisotopic Mass 126.141 Da Topological Polar Surface Area 0.000 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 82.200 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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