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Isotope-labelled compounds

Cyclohexanone-2,2,6,6-d4

Also known as 2,2,6,6-tetradeuteriocyclohexan-1-one, 2,2,6,6-tetradeuteriocyclohexanone, Cyclohexanone-2266-d4

CAS 1006-03-7Formula C6H10OMolar mass 102.17 g/molEC 686-038-4
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant
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Cyclohexanone-2,2,6,6-d4 chemical structure, C6H10O, CAS 1006-03-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1006-03-7
Formula
C6H10O
Molar mass
102.17 g/mol
Physical form
Liquid
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Cyclohexanone-2,2,6,6-d4?

Plain description, key identifiers and synonyms

Cyclohexanone-2,2,6,6-d4 is a chemical substance with the molecular formula C6H10O and a molar mass of 102.17 g/mol. Its CAS registry number is 1006-03-7. The IUPAC name is 2,2,6,6-tetradeuteriocyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,6,6-tetradeuteriocyclohexan-1-one
CAS number
1006-03-7 CAS number cross-checked
EC number
686-038-4
Molecular formula
C6H10O
MDL number
MFCD00144022
InChIKey
JHIVVAPYMSGYDF-CQOLUAMGSA-N
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2/i4D2,5D2
Canonical SMILES
O=C1CCCCC1
Isomeric SMILES
[2H]C1(CCCC(C1=O)([2H])[2H])[2H]

Synonyms

  • 2,2,6,6-tetradeuteriocyclohexan-1-one
  • 2,2,6,6-tetradeuteriocyclohexanone
  • Cyclohexanone-2266-d4
  • Cyclohexanone-2,2,6,6-d?
  • 2,2,6,6-tetradeuterocyclohexanone
  • (2,2,6,6-?H?)cyclohexan-1-one
  • (2,2,6,6-~2~H_4_)Cyclohexanone
  • Cyclohexanone-2,2,6,6-d4, 98 atom % D

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
102.17 g/molcalc.
Exact mass
102.0983 Dacalc.
LogP (octanol/water)
1.52calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCCCC1

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H332Harmful if inhaled.
Precautionary statements (15)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

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Cyclohexanone-2,2,6,6-d4 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cyclohexanone-2,2,6,6-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cyclohexanone-2,2,6,6-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclohexanone-2,2,6,6-d4, based on the data on this page

What is Cyclohexanone-2,2,6,6-d4?

Cyclohexanone-2,2,6,6-d4 is a chemical substance with the molecular formula C6H10O and a molar mass of 102.17 g/mol. Its CAS registry number is 1006-03-7. The IUPAC name is 2,2,6,6-tetradeuteriocyclohexan-1-one.

What is the CAS number of Cyclohexanone-2,2,6,6-d4?

The CAS registry number of Cyclohexanone-2,2,6,6-d4 is 1006-03-7.

What is the molecular formula and weight of Cyclohexanone-2,2,6,6-d4?

The molecular formula of Cyclohexanone-2,2,6,6-d4 is C6H10O and its molar mass is 102.17 g/mol.

What is Cyclohexanone-2,2,6,6-d4 used for?

Known uses and roles of Cyclohexanone-2,2,6,6-d4 include isotope-labelled compounds in research and laboratory.

Is Cyclohexanone-2,2,6,6-d4 hazardous?

Cyclohexanone-2,2,6,6-d4 carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cyclohexanone-2,2,6,6-d4?

Cyclohexanone-2,2,6,6-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclohexanone-2,2,6,6-d4?

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What is the price of Cyclohexanone-2,2,6,6-d4?

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Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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