ChemicalBook--->CAS DataBase List--->37609-25-9

37609-25-9

37609-25-9 Structure

37609-25-9 Structure
IdentificationBack Directory
[Name]

5-CYCLOHEXADECEN-1-ONE
[CAS]

37609-25-9
[Synonyms]

VELVIONE
AMBRETONE
musk amberol
Cyclohexadeceneone
5-Cyclohexadecenone
5-Cyclohexadecen-1-on
5-CYCLOHEXADECEN-1-ONE
5-Cyclohexadecene-1-one
Cyclohexadecen-1-one,5-
(E)-cyclohexadec-5-enone
5-Cyclohexadecen-1-one>
5-CYCLOHEXADECEN-1-ONE 95+%
[EINECS(EC#)]

253-568-9
[Molecular Formula]

C16H28O
[MDL Number]

MFCD00059511
[MOL File]

37609-25-9.mol
[Molecular Weight]

236.39
Chemical PropertiesBack Directory
[Melting point ]

25 °C
[Boiling point ]

120 °C / 1mmHg
[density ]

0.93
[vapor pressure ]

0.02Pa at 20℃
[Fp ]

166 °C
[form ]

Liquid
[color ]

White to Almost white
[Odor]

at 10.00 % in dipropylene glycol. dry powdery musk amber civet
[Odor Type]

musk
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-
[InChIKey]

ABRIMXGLNHCLIP-VURMDHGXSA-N
[SMILES]

O=C1CCCCCCCCCCC=CCCC1
[LogP]

5.8-6.4 at 20-35℃ and pH7-7.2
[EPA Substance Registry System]

5-Cyclohexadecen-1-one (37609-25-9)
Safety DataBack Directory
[WGK Germany ]

WGK 2
[TSCA ]

TSCA listed
[HS Code ]

2914.29.5000
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Chemical Properties]

5-CYCLOHEXADECEN-1-ONE is commercially available as a 40 : 60 mixture of its (Z)- and (E)-isomers. It is a colorless liquid with an intense musk odor.
A three-step synthesis starts from cyclododecanone. Reaction with chlorine gives 2-chlorocyclododecanone, which is reacted with 2 mol of vinyl magnesium chloride to give 1,2-divinylcyclododecan-l-ol. This is finally converted into 5-cyclohexadecen-1-one by an oxy-Cope rearrangement.
5-Cyclohexadecen-l-one can be added to perfume compositions as a substitute for the natural macrocyclic ketone musks:
[Trade name]

Musk TM-II (Soda Aromatic), Velvione® (Givaudan), Ambretone® (Takasago)
Spectrum DetailBack Directory
[Spectrum Detail]

5-CYCLOHEXADECEN-1-ONE(37609-25-9)IR1
5-CYCLOHEXADECEN-1-ONE(37609-25-9)Raman
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