Oxacycloheptadec-10-en-2-one
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Oxacycloheptadec-10-en-2-one
structure -
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CAS No:
28645-51-4
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Formula:
C16H28O2
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Chemical Name:
Oxacycloheptadec-10-en-2-one
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Synonyms:
Oxacycloheptadec-10-en-2-one;9-Hexadecenoic acid,16-hydroxy-,ο-lactone;Δ9-Isoambrettolic acid,lactone;Isoambrettolide;NSC 31697
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CAS No:
Description
AMBRETTOLIDE is not reported as being found in nature, in contrast
to (Z)-7-hexadecen-16-olide, which occurs in ambrette seed oil
and which is also referred to as ambrettolide. It is a colorless to slightly yellow
liquid, d
20
4
0.949–0.957, n
20
D
1.477–1.482, with an intense and powerful musk
odor. It is prepared by treating aleuritic acid (9,10,16-trihydroxyhexadecanoic
acid) with trimethyl orthoformate to give a dioxolane derivative. Reaction with
acetic anhydrid
Clear colourless or pale yellow liquid; Sweet musky fruity aroma
Characteristics
26.30000
5.52
Clear colourless or pale yellow liquid; Sweet musky fruity aroma
0.9±0.1 g/cm3
135-136 °C @ Press: 0.1 Torr
>230 °F
1.445
Soluble in non-polar solvents; insoluble in water
Oxacycloheptadec-10-en-2-one Use and Manufacturing
Air care products
< 25,000 lb
Oxacycloheptadec-10-en-2-one: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:252.39
XLogP3:5.5
Hydrogen Bond Acceptor Count:2
Exact Mass:252.208930132
Monoisotopic Mass:252.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:18
Complexity:233
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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