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Cyclohexadecanone

Cyclohexadecanone structure

CAS No:
2550-52-9
Formula:
C16H30O
Chemical Name:
Cyclohexadecanone
Synonyms:
Cyclohexadecanone;Homoexaltone;Isomuscone
Categories:
Organic Chemistry > Ketones

Description

cyclohexadecanone is a white, crystalline solid with a clean musk odor with a slight nitro musk and a soft muscone-like note. It is recommended as a very stable and substantive musk note for beauty care and fabric care perfumes. Cyclohexadecanone is known as a minor constituent of civet absolute.
Commercially, the material is manufactured by hydrogenation of 8-cyclohexadecenone.

Cyclohexadecanone Basic Attributes

Molecular Weight：

238.415

Exact Mass：

238.41

EC Number：

607-739-3

DSSTox ID：

DTXSID9062514

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

5.42060

Density：

0.8962 g/cm³ @ Temp: 60 °C

Melting Point：

56 °C

Boiling Point：

138 °C @ Press: 0.5 Torr

Flash Point：

148.6ºC

Safety Information

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 144 companies from 1 notifications to the ECHA C&L Inventory.

Cyclohexadecanone Use and Manufacturing

Manufacturing Info：

Cyclohexadecanone: ACTIVE

Computed Properties

Molecular Weight:238.41
XLogP3:6.4
Hydrogen Bond Acceptor Count:1
Exact Mass:238.229665576
Monoisotopic Mass:238.229665576
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes