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2,5-DIMETHYLCYCLOHEXANONE

2,5-DIMETHYLCYCLOHEXANONE structure

CAS No:
932-51-4
Formula:
C8H14O
Chemical Name:
2,5-DIMETHYLCYCLOHEXANONE
Synonyms:
2,5-DIMETHYLCYCLOHEXANONE;dimethylcyclohexanone,95%;2,5-Dimethylcyclohexanone,c&t;(2S)-2β,5α-Dimethylcyclohexanone;2,5-Dimethylcyclohexanone (mixture of isomers)

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2,5-DIMETHYLCYCLOHEXANONE Basic Attributes

Molecular Weight：

126.199

Exact Mass：

126.10400

DSSTox ID：

DTXSID40335146

Characteristics

PSA：

17.1

XLogP3：

2.01160

Density：

0.91

Boiling Point：

80ºC / 30mmHg

Safety Information

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, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:126.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:118
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-DIMETHYLCYCLOHEXANONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,5-DIMETHYLCYCLOHEXANONE

SDS

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