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4-Octanone

4-Octanone structure

CAS No:
589-63-9
Formula:
C8H16O
Chemical Name:
4-Octanone
Synonyms:
4-Octanone;Butyl propyl ketone;4-Oxooctane;NSC 43245
Categories:
Chemical Reagents > Organic Reagents

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Description

Colorless clear liquid

4-Octanone Basic Attributes

Molecular Weight：

128.21200

Exact Mass：

128.21

EC Number：

209-655-9

NSC Number：

43245

DSSTox ID：

DTXSID40207637

Characteristics

PSA：

17.07000

XLogP3：

2.54580

Density：

0.8177 g/cm³ @ Temp: 20 °C

Melting Point：

-32.24°C (estimate)

Boiling Point：

163 °C

Flash Point：

53.7ºC

Refractive Index：

1.41

Safety Information

Transport codes：

UN 1224

hazard class code：

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:128.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes