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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Cyclohexene-1-carboxylic Acid Methyl Ester - ≥97% , CAS No.6493-77-2
Synonyms
H10726 | Methyl (S)-3-Cyclohexenecarboxylate | Methyl cyclohex-3-enecarboxylate | NSC93912 | NSC-93912 | Z18245232 | FT-0615563 | 911637-19-9 (free base) | EINECS 229-376-6 | SB13641 | Methyl 3-cyclohexenecarboxylate | SCHEMBL91215 | A867788 | Methyl 4-cy
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Why this grade ≥97% 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
H10726 | Methyl (S)-3-Cyclohexenecarboxylate | Methyl cyclohex-3-enecarboxylate | NSC93912 | NSC-93912 | Z18245232 | FT-0615563 | 911637-19-9 (free base) | EINECS 229-376-6 | SB13641 | Methyl 3-cyclohexenecarboxylate | SCHEMBL91215 | A867788 | Methyl 4-cy
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488187032 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187032 Canonical Smiles COC(=O)C1CCC=CC1 IUPAC Name methyl cyclohex-3-ene-1-carboxylate InChIKey IPUNVLFESXFVFH-UHFFFAOYSA-N INCHI 1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3 Isomeric SMILES COC(=O)C1CCC=CC1 UN Number 3272 Packing Group III Molecular Weight 140.18 Reaxy-Rn 2042020 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042020&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 acids and derivatives Class Carboxylic acids and derivatives Subclass Carboxylic acid derivatives Intermediate Tree Nodes Carboxylic acid esters Direct Parent Methyl esters Alternative Parents Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic homomonocyclic compounds Substituents Methyl ester - Monocarboxylic acid or derivatives - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.46 Flash Point(°C) 60°C Boil Point(°C) 185°C Molecular Weight 140.180 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 140.084 Da Monoisotopic Mass 140.084 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 149.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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