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Cyclohexyl methyl ketone

Cyclohexyl methyl ketone structure

CAS No:
823-76-7
Formula:
C8H14O
Chemical Name:
Cyclohexyl methyl ketone
Synonyms:
Ethanone,1-cyclohexyl-;Ketone,cyclohexyl methyl;1-Cyclohexylethanone;Acetophenone,hexahydro-;Cyclohexane,acetyl-;Acetylcyclohexane;Cyclohexyl methyl ketone;Methyl cyclohexyl ketone;Cyclohexylethanone;1-Acetylcyclohexane;1-Cyclohexylacetaldehyde;NSC 16249;1-Cyclohexylethan-1-one;145930-05-8
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Cyclohexyl methyl ketone Basic Attributes

Molecular Weight：

126.2

Exact Mass：

126.20

BRN：

507229

EC Number：

212-517-0

UNII：

U53404H6B8

NSC Number：

16249

DSSTox ID：

DTXSID40231674

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

Appearance：

Liquid

Density：

0.9254 g/cm³ @ Temp: 16 °C

Melting Point：

49.5-51 °C @ Solvent: Hexane

Boiling Point：

180.5 °C

Flash Point：

57°C

Refractive Index：

1.452

Water Solubility：

Not miscible or difficult to mix in water.

Henrys Law Constant：

3.38e-05 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

KM5638850

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:126.20
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Cyclohexylethan-1-one

CAS No.: 823-76-7

Content: 99.00%

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