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2,6-Dimethyl-3-heptanone

2,6-Dimethyl-3-heptanone structure

CAS No:
19549-83-8
Formula:
C9H18O
Chemical Name:
2,6-Dimethyl-3-heptanone
Synonyms:
3-Heptanone,2,6-dimethyl-;2,6-Dimethyl-3-heptanone;NSC 155180

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2,6-Dimethyl-3-heptanone Basic Attributes

Molecular Weight：

142.24

Exact Mass：

142.24

EC Number：

243-149-9

UNII：

56924GH37X

NSC Number：

155180

DSSTox ID：

DTXSID20173220

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.64770

Density：

0.8258 (estimate)

Melting Point：

-18.52°C (estimate)

Boiling Point：

171.85°C

Flash Point：

44.7ºC

Refractive Index：

1.4181 (estimate)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1224

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:142.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:142.135765193
Monoisotopic Mass:142.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Dimethyl-3-heptanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,6-Dimethyl-3-heptanone

SDS

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