1,6-Dioxacycloheptadecan-7-one
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1,6-Dioxacycloheptadecan-7-one
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CAS No:
6707-60-4
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Formula:
C15H28O3
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Chemical Name:
1,6-Dioxacycloheptadecan-7-one
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Synonyms:
1,6-Dioxacycloheptadecan-7-one;Undecanoic acid,11-(4-hydroxybutoxy)-,ο-lactone;12-Oxa-1,16-hexadecanolide;Cervolide;Musk 781;NSC 34741;12-Oxahexadecanolide
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CAS No:
Description
The odor of this lactone is comparable to that of 15-pentadecanolide, but less intense. It is prepared by reacting methyl 11- bromoundecanoate with the monosodium salt of 1,4-butanediol. The resulting methyl 16-hydroxy-12-oxapalmitate is condensed to the corresponding polyester, which is subsequently depolymerized.
1,6-Dioxacycloheptadecan-7-one Basic Attributes
256.38100
256.38
229-755-6
G6U2GR91JI
34741
DTXSID4047705
2932999099
Characteristics
35.53000
3.85090
white semi-solid
0.9829 g/cm3 @ Temp: 420 °C
143 °C @ Press: 3 Torr
174.4ºC
1.466
LD50 orl-rat: >5 g/kg FCTOD7 20,789,82
Computed Properties
Molecular Weight:256.38
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Exact Mass:256.20384475
Monoisotopic Mass:256.20384475
Topological Polar Surface Area:35.5
Heavy Atom Count:18
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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