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4,4-Dimethyl-2-pentanone

4,4-Dimethyl-2-pentanone structure

CAS No:
590-50-1
Formula:
C7H14O
Chemical Name:
4,4-Dimethyl-2-pentanone
Synonyms:
2-Pentanone,4,4-dimethyl-;4,4-Dimethyl-2-pentanone;Methyl neopentyl ketone;Methyl neoamyl ketone;Neopentyl methyl ketone;NSC 944

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Description

clear colorless to light yellow liquid

4,4-Dimethyl-2-pentanone Basic Attributes

Molecular Weight：

114.188

Exact Mass：

114.19

EC Number：

209-685-2

NSC Number：

944

DSSTox ID：

DTXSID4073914

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.01160

Density：

0.8080 g/cm³ @ Temp: 20 °C

Melting Point：

-64 °C

Boiling Point：

126 °C

Flash Point：

66 °F

Refractive Index：

n20/D 1.404(lit.)

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 1224 3/PG 2

wgk germany：

hazard class code：

safety instructions：

S16-S29-S33

Marks：

F: Flammable;

Precautionary statement(s)：

P210

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:114.19
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,4-Dimethyl-2-pentanone

CAS No.: 590-50-1

Content: 99.00%

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Guide of 4,4-Dimethyl-2-pentanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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4,4-Dimethyl-2-pentanone

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