Ethyl 3,5,5-trimethylhexanoate
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Ethyl 3,5,5-trimethylhexanoate
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CAS No:
67707-75-9
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Formula:
C11H22O2
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Chemical Name:
Ethyl 3,5,5-trimethylhexanoate
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Synonyms:
Hexanoic acid,3,5,5-trimethyl-,ethyl ester;Ethyl 3,5,5-trimethylhexanoate;Melusat
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CAS No:
Safety Information
P273, P501
H412
H412 (97.47%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 1582 companies from 4 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:186.29
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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