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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Benzylidenecyclohexanone - ≥95% , CAS No.5682-83-7
Synonyms
(2E)-2-benzylidene-cyclohexan-1-one | (2E)-2-benzylidenecyclohexan-1-one | E-2-Benzylidenecyclohexanone | AS-44231 | 2-(phenylmethylene)cyclohexan-1-one | SCHEMBL10734311 | (2E)-2-Benzylidenecyclohexanone | trans-2-Benzylidenecyclohexanone | 2-Benzylidene
Storage
Argon charged,Room temperature
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
(2E)-2-benzylidene-cyclohexan-1-one | (2E)-2-benzylidenecyclohexan-1-one | E-2-Benzylidenecyclohexanone | AS-44231 | 2-(phenylmethylene)cyclohexan-1-one | SCHEMBL10734311 | (2E)-2-Benzylidenecyclohexanone | trans-2-Benzylidenecyclohexanone | 2-Benzylidene
Specifications & Purity
≥95%
Storage
Argon charged,Room temperature
Names and Identifiers Pubchem Sid 488195508 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488195508 Canonical Smiles C1CCC(=O)C(=CC2=CC=CC=C2)C1 IUPAC Name (2E)-2-benzylidenecyclohexan-1-one InChIKey VCDPHYIZVFJQCD-ZRDIBKRKSA-N INCHI 1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+ Isomeric SMILES C1CCC(=O)/C(=C/C2=CC=CC=C2)/C1 Molecular Weight 186.25 Reaxy-Rn 638548 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638548&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 Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Cyclic ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 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 Sensitivity Moisture sensitive; Boil Point(°C) 190°C/20mmHg(lit.) Melt Point(°C) 50-56°C Molecular Weight 186.250 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 186.104 Da Monoisotopic Mass 186.104 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 234.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 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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