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Isotope-labelled compounds

Acetone-D6

Also known as Acetone d6, (2H6)Acetone, hexadeuterioacetone

CAS 666-52-4Formula C3H6OMolar mass 64.12 g/molEC 211-563-9
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant
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Acetone-D6 chemical structure, C3H6O, CAS 666-52-4
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
-95 °C
Boiling point
55.5 °C
Density
0.872 @ 20 °C
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Acetone-D6?

Plain description, key identifiers and synonyms

Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a NMR solvent and a polar aprotic solvent. It is a member of propanones and a deuterated compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1,1,3,3,3-hexadeuteriopropan-2-one
CAS number
666-52-4 CAS number cross-checked
EC number
211-563-9
Molecular formula
C3H6O
UNII
B0N19B53H8
MDL number
MFCD00044635
InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-N
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
Canonical SMILES
CC(C)=O
Isomeric SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]

Synonyms

  • Acetone d6
  • (2H6)Acetone
  • hexadeuterioacetone
  • Acetone, perdeutero-
  • Perdeuterioacetone
  • 2-Propanone-d6
  • ((2)H6)propan-2-one
  • 2-Propanone-1,1,1,3,3,3-D6-
  • 1,1,1,3,3,3-Hexadeutero-2-propanone
  • Hexadeuteroacetone
  • Perdeuteroacetone
  • 1,1,1,3,3,3-hexadeuteriopropan-2-one
  • (CD3)2CO
  • 2-Propanone-1,1,1,3,3,3-D6
  • Acetone-d6 (reagent grade)
  • Acetone-d6, 99.5 atom % D
  • Acetone-d6, 99.9 atom % D
  • d6-acetone
  • Acetone-d6, "100%", 99.96 atom % D
  • Acetone (1,1,1,3,3,3-d6)
  • Acetone-d6, >=99.9 atom % D, contains 0.03 % (v/v) TMS
  • aceton-d6
  • Acetone-d?
  • d-6 acetone
  • [D6]acetone
Show all 37 synonyms
  • Acetone D6 >99.8%
  • Hexadeuteroacetone 99.9%D
  • Acetone D6 >99.96%
  • (~2~H_6_)Propan-2-one
  • Acetone-d6 (99.9 atom per cent D)
  • Acetone-d6, ampule, >=99.95 atom % D
  • Acetone D6 >99.96% (+ 0.03% TMS)
  • Acetone-D6 (D, 99.9%) +0.03% V/V Tms
  • Acetone-D6 (D, 99.9%) +0.05% v/v TMS
  • Acetone-d6, >=99.9 atom % D, contains 1 % (v/v) TMS
  • Acetone-d6, 99.9 atom % D, contains 1 % (v/v) TMS
  • Acetone-d6, >=99.9 atom % D, contains 0.1 % (v/v) TMS

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.
Melting point
-95 °Cexp.
Boiling point
55.5 °Cexp.
Density
0.872 @ 20 °Cexp.
Vapour pressure
183 [mm Hg] @20 °Cexp.

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
64.12 g/molcalc.
Exact mass
64.0795 Dacalc.
LogP (octanol/water)
0.6calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
4calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

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

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H319Causes serious eye irritation.
  • H336May cause drowsiness or dizziness.
Precautionary statements (20)
  • 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.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • 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.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P337 + P317If eye irritation persists: Get medical help.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • 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

Acetone-D6 suppliers

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Acetone-D6 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • NMR solvent
  • aprotic solvent
  • polar aprotic solvent
  • polar solvent
  • solvent

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 Acetone-D6 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 Acetone-D6 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetone-D6, based on the data on this page

What is Acetone-D6?

Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a NMR solvent and a polar aprotic solvent. It is a member of propanones and a deuterated compound.

What is the CAS number of Acetone-D6?

The CAS registry number of Acetone-D6 is 666-52-4.

What is the molecular formula and weight of Acetone-D6?

The molecular formula of Acetone-D6 is C3H6O and its molar mass is 64.12 g/mol.

What is Acetone-D6 used for?

Known uses and roles of Acetone-D6 include solvents in paints and coatings, solvents in adhesives and sealants, isotope-labelled compounds in research and laboratory, nmr solvent, aprotic solvent and 3 more.

Is Acetone-D6 hazardous?

Acetone-D6 carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, causes serious eye irritation, may cause drowsiness or dizziness. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acetone-D6?

Acetone-D6 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 Acetone-D6?

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What is the price of Acetone-D6?

Suppliers quote Acetone-D6 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Acetone-D6

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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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