Benzyl octanoate
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Benzyl octanoate
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CAS No:
10276-85-4
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Formula:
C15H22O2
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Chemical Name:
Benzyl octanoate
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Synonyms:
Octanoic acid,phenylmethyl ester;Octanoic acid,benzyl ester;Caprylic acid,benzyl ester;Benzyl octanoate;NSC 23754;Phenylmethyl octanoate
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CAS No:
Characteristics
26.3
4.09030
0.971±0.06 g/cm3(Predicted)
125-130 °C @ Press: 1.5 Torr
108.3ºC
1.492
0.000535mmHg at 25°C
Safety Information
43
36/37
Xi
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
Not Classified
Computed Properties
Molecular Weight:234.33
XLogP3:4.6
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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