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2,2,6-Trimethylcyclohexanone

2,2,6-Trimethylcyclohexanone structure

CAS No:
2408-37-9
Formula:
C9H16O
Chemical Name:
2,2,6-Trimethylcyclohexanone
Synonyms:
Cyclohexanone,2,2,6-trimethyl-;2,2,6-Trimethylcyclohexanone;1,1,3-Trimethyl-2-cyclohexanone;2,6,6-Trimethylcyclohexanone;2,2,6-Trimethylcyclohexan-1-one;NSC 401659;62861-88-5
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS LIQUID

Liquid|Colourless liquid; camphoraceous tobacco notes; thujune like

2,2,6-Trimethylcyclohexanone Basic Attributes

Molecular Weight：

140.226

Exact Mass：

140.22

EC Number：

219-309-9

NSC Number：

401659

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

2.40170

Appearance：

Liquid

Density：

0.922 g/cm³ @ Temp: 0 °C

Melting Point：

-31.8 °C

Boiling Point：

178.5 °C

Flash Point：

125 °F

Refractive Index：

n20/D 1.447(lit.)

Water Solubility：

Slightly miscible with water.

Storage Conditions：

Flammables area

Vapor Pressure：

0.986mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

safety instructions：

S23-S24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, 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, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 131 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,2,6-Trimethylcyclohexanone Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Manufacturing Info：

Cyclohexanone, 2,2,6-trimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:140.22
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:140.120115130
Monoisotopic Mass:140.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:147
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,6-Trimethylcyclohexanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

2,2,6-Trimethylcyclohexanone

SDS

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