Ethyl safranate
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Ethyl safranate
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CAS No:
35044-59-8
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Formula:
C12H18O2
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Chemical Name:
Ethyl safranate
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Synonyms:
1,3-Cyclohexadiene-1-carboxylic acid,2,6,6-trimethyl-,ethyl ester;Ethyl β-safranate;2,6,6-Trimethyl-1-(ethoxycarbonyl)cyclohexa-1,3-diene;Ethyl safranate;Ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate;Cristalon
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CAS No:
Safety Information
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1543 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl safranate Use and Manufacturing
1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester: ACTIVE
Computed Properties
Molecular Weight:194.27
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:194.130679813
Monoisotopic Mass:194.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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