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· · COA & SDS available for every product · Same-day shipping on in-stock items Elemicin - ≥95% , CAS No.487-11-6
Synonyms
1,2,3-Trimethoxy-5-[2-propenyl]-benzene | AI3-20815 | MFCD01656688 | Elemicine | CHEBI:4771 | BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY- | CCG-266643 | EINECS 207-649-0 | 3,4, 5-Trimethoxyallylbenzene | BPLQKQKXWHCZSS-UHFFFAOYSA-N | A827594 | HY-N6807 | 5-Allyl-1
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1, 2, 3-Trimethoxy-5-[2-propenyl]-benzene | AI3-20815 | MFCD01656688 | Elemicine | CHEBI:4771 | BENZENE, 5-ALLYL-1, 2, 3-TRIMETHOXY- | CCG-266643 | EINECS 207-649-0 | 3, 4, 5-Trimethoxyallylbenzene | BPLQKQKXWHCZSS-UHFFFAOYSA-N | A827594 | HY-N6807 | 5-Allyl-1
Specifications & Purity
≥95%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504751921 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751921 Canonical Smiles COC1=CC(=CC(=C1OC)OC)CC=C IUPAC Name 1,2,3-trimethoxy-5-prop-2-enylbenzene InChIKey BPLQKQKXWHCZSS-UHFFFAOYSA-N INCHI 1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 Isomeric SMILES COC1=CC(=CC(=C1OC)OC)CC=C Molecular Weight 208.3 Reaxy-Rn 1912664 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912664&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 Phenol ethers Subclass Anisoles Intermediate Tree Nodes Not available Direct Parent Anisoles Alternative Parents Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. External Descriptors Monolignols 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 208.250 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 208.11 Da Monoisotopic Mass 208.11 Da Topological Polar Surface Area 27.700 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 179.000 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
Citations of This Product References 1. Bo Sui, Yuxin Wang, Shanshan Ma, Shihao Sun, Hui Xi, Dingzhong Wang, Shusheng Zhang, Hongtu Zhang, Wuduo Zhao. (2025) Synergistic Ionization via Plasma-Droplet Coupling in an LTP-DESI Hybrid Source for Sensitive Analysis of Volatile Aroma Compounds. ANALYTICAL CHEMISTRY, [PMID:41171106 ] [10.1021/acs.analchem.5c04362 ]
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