2-Propen-1-yl 3,5,5-trimethylhexanoate
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2-Propen-1-yl 3,5,5-trimethylhexanoate
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CAS No:
71500-37-3
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Formula:
C12H22O2
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Chemical Name:
2-Propen-1-yl 3,5,5-trimethylhexanoate
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Synonyms:
Hexanoic acid,3,5,5-trimethyl-,2-propen-1-yl ester;Hexanoic acid,3,5,5-trimethyl-,2-propenyl ester;2-Propen-1-yl 3,5,5-trimethylhexanoate;2-Propenyl 3,5,5-trimethylhexanoate
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 258 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:198.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:189
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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