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Product No: CA7946

3,3-Dimethylcyclohexanone, 0%

Name: 3,3-Dimethylcyclohexanone
Brand: Chempure

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CAS Number

2979-19-3

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About this item

IUPAC name	3,3-dimethylcyclohexan-1-one
canonical smiles	CC1(CCCC(=O)C1)C
inchi	InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
inchi key	ZVJQBBYAVPAFLX-UHFFFAOYSA-N
molecular formula	C8H14O
synonyms	3,3-Dimethylcyclohexanone 2979-19-3 3,3-dimethylcyclohexan-1-one Cyclohexanone, 3,3-dimethyl- 3,3-Dimethylcyclohexane-1-one

Computed Properties

Molecular Weight:	126.20 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	126.104465066 g/mol
Monoisotopic Mass:	126.104465066 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	125
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

alpha-PINENE

Carvone, (+/-)-

Isophorone

Camphene

Methyl isobutyl ketone

5-Methyl-2-hexanone

beta-Pinene

3-Carene

5-Chloro-2-methyl-4-isothiazolin-3-one

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol

2-Cyclohexen-1-one

Carvone, (+)-

Mesityl oxide

Cyclohexanone

2-Methylcyclohexanone

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (100%) Eye Dam. 1 (84%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H318 (84%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CA7946

3,3-Dimethylcyclohexanone, 0%

Product No: CA7946

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

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Product No: CA7946

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?