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2,2-Dimethyl-3-hexanone

2,2-Dimethyl-3-hexanone structure

CAS No:
5405-79-8
Formula:
C8H16O
Chemical Name:
2,2-Dimethyl-3-hexanone
Synonyms:
3-Hexanone,2,2-dimethyl-;2,2-Dimethyl-3-hexanone;tert-Butyl propyl ketone;NSC 5229

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Description

Colorless transparent liquid

2,2-Dimethyl-3-hexanone Basic Attributes

Molecular Weight：

128.215

Exact Mass：

128.21

NSC Number：

5229

DSSTox ID：

DTXSID60277953

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.40170

Density：

0.825 g/cm³ @ Temp: 15 °C

Melting Point：

-32.24°C (estimate)

Boiling Point：

147 °C

Flash Point：

34.4ºC

Refractive Index：

1.4105

Safety Information

hazard class code：

36/37/38

safety instructions：

S26-S36/37/39

Marks：

F: Flammable;Xi: 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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
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:97.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Dimethyl-3-hexanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2,2-Dimethyl-3-hexanone

SDS

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