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2,5-Dimethyl-3-hexanone

2,5-Dimethyl-3-hexanone structure

CAS No:
1888-57-9
Formula:
C8H16O
Chemical Name:
2,5-Dimethyl-3-hexanone
Synonyms:
3-Hexanone,2,5-dimethyl-;2,5-Dimethyl-3-hexanone;Isobutyl isopropyl ketone;Isopropyl isobutyl ketone;NSC 940

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2,5-Dimethyl-3-hexanone Basic Attributes

Molecular Weight：

128.21200

Exact Mass：

128.21

NSC Number：

940

DSSTox ID：

DTXSID30172249

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.25760

Density：

0.81223 g/cm³ @ Temp: 20 °C

Boiling Point：

147.5 °C

Flash Point：

34.2ºC

Refractive Index：

1.407

Vapor Pressure：

3.99mmHg at 25°C

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:128.21
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:92.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Dimethyl-3-hexanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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