Octyl benzoate
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Octyl benzoate
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CAS No:
94-50-8
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Formula:
C15H22O2
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Chemical Name:
Octyl benzoate
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Synonyms:
Benzoic acid,octyl ester;n-Octyl benzoate;Octyl benzoate;1-Octyl benzoate;Octyl alcohol,benzoate;NSC 21846;Dena PF 681;Benzoic acid 1-octanyl ester;Caprylyl benzoate
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CAS No:
Description
Octyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of octan-1-ol. It is found in the leaves of lemon balm. It has a role as a fragrance and a plant metabolite. It derives from a benzoic acid and an octan-1-ol.
Octyl benzoate Use and Manufacturing
Octyl Benzoate is used as a fragrance agent.
Benzoic acid, octyl ester: ACTIVE
Computed Properties
Molecular Weight:234.33
XLogP3:5.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:234.161979940
Monoisotopic Mass:234.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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