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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl chrysanthemate - ≥95% , CAS No.97-41-6
Synonyms
Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate|Chrysanthemummonocarboxylic acid, ethyl ester|Chrysanthemylmonocarboxylic Acid Ethyl Ester|Ethyl chrysanthemate|Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic Acid Ethyl Ester|chrysanthemic acid, ethyl ester|Ethyl chrysanthemumate|Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester|CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTER|Chrysanthemum-monocarboxlic acid ethyl ester|SDCCGMLS-0066640.P001|ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|Ethylchrysanthemate|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester|ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane Carboxylic Acid Ethyl Ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ethyl ester|chrysanthemic acidethyl ester|Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate #|Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester|ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|Ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
Overview Ethyl chrysanthemate is an allelochemical compound used as an attractant
Specifications Synonyms
Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate | ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate | ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | Chrysanthemummonocarboxylic acid, ethyl ester | Chrysanthemylmonocarboxylic Acid Ethyl Ester | Ethyl chrysanthemate | Ethyl 2 Show more
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180383
Canonical Smiles
CCOC(=O)C1C(C1(C)C)C=C(C)C
IUPAC Name
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChIKey
VIMXTGUGWLAOFZ-UHFFFAOYSA-N
INCHI
1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
Isomeric SMILES
CCOC(=O)C1C(C1(C)C)C=C(C)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045740&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Monocyclic monoterpenoids Alternative Parents Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic homomonocyclic compounds Substituents Monocyclic monoterpenoid - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. 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 1.461 Flash Point(°F) 183.2 °F Flash Point(°C) 84 °C Boil Point(°C) 112°C/10mmHg Molecular Weight 196.290 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 196.146 Da Monoisotopic Mass 196.146 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 259.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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