Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate
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Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate
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CAS No:
77851-07-1
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Formula:
C13H22O2
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Chemical Name:
Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate
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Synonyms:
2-Cyclohexene-1-carboxylic acid,2,3,6,6-tetramethyl-,ethyl ester;Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate
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CAS No:
Description
rose carboxylate is a mixture of isomers, bp0.8 kPa 102 °C, n20 D 1.4626, a colorless to pale yellow liquid with rosy, spicy, fruity, and woody odor. For its preparation, 3,6-dimethyl-6-hepten-2-one and 7-methyl-6-octen-3-one are treated with ethyl diethylphosphoryl acetate to give a mixture of octadienoic acid esters. Cyclization with sulfuric/formic acid yields the title compounds as a mixture with additional isomers. Owing to its complex odor, it is used in fine fragrances for shading.
Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate Basic Attributes
210.31258
210.31
278-776-7
DTXSID7052525
Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate Use and Manufacturing
2-Cyclohexene-1-carboxylic acid, 2,3,6,6-tetramethyl-, ethyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:210.31
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:210.161979940
Monoisotopic Mass:210.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:287
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-1-carboxylate
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