trans-3-Hexenyl hexanoate
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trans-3-Hexenyl hexanoate
structure -
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CAS No:
56922-82-8
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Formula:
C12H22O2
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Chemical Name:
trans-3-Hexenyl hexanoate
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Synonyms:
Hexanoic acid,(3E)-3-hexen-1-yl ester;Hexanoic acid,3-hexenyl ester,(E)-;Hexanoic acid,(3E)-3-hexenyl ester;trans-3-Hexenyl hexanoate;trans-3-Hexenyl caproate
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CAS No:
Characteristics
26.3
3.8
colourless to pale yellow liquid with a fruity green odour
0.870-0.890
soluble in alcohol, propylene glycol, most fixed oils; insoluble in water
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Computed Properties
Molecular Weight:198.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:162
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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