Acetone-D6
IUPAC: 1,1,1,3,3,3-hexadeuteriopropan-2-one
Plain text
Chemfused. (2026). Acetone-D6, CAS 666-52-4. Retrieved 2026-04-28 from https://chemfused.com/cas/666-52-4
BibTeX
@misc{chemfused-cas-666524,
title = {Acetone-D6, CAS 666-52-4},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/666-52-4},
urldate = {2026-04-28}
}
Acetone-D6 (CAS 666-52-4) is a chemical compound with molecular formula C3H6O and molecular weight 64.12 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Health Hazard.
What is Acetone-D6?
- Molecular Formula
- C3H6O
- Molecular Weight
- 64.12 g/mol
Description
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.
Structure Identifiers
- SMILES
- [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
- InChI
- InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
- InChIKey
- CSCPPACGZOOCGX-WFGJKAKNSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 64.0795 Da
- XLogP
- -0.10
- TPSA
- 17.1 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 26
- Formal Charge
- 0
Experimental
Measured physical and chemical properties from experimental literature.
- Vapor Pressure
- 372.0 [mmHg]
Safety information
Signal Word
GHS Pictograms
GHS02
GHS07
Hazard Statements
- H225 Highly flammable liquid and vapour
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P233 Keep container tightly closed
- P240 Ground/bond container and receiving equipment
- P241 Use explosion-proof electrical/ventilating/lighting equipment
- P242 Use only non-sparking tools
- P243 Take precautionary measures against static discharge
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P370+P378 In case of fire: Use appropriate media for extinction
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P403+P235 Store in a well-ventilated place. Keep cool
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (62)
- D009
- D038
- D338
- A0638
- A2050
- C3D6O
- D88298
- UN1090
- (CD3)2CO
- 666-52-4
- AAA66652
- Q1032873
- SY010295
- aceton-d6
- Acetone d6
- Acetone-d6
- B0N19B53H8
- d6-acetone
- [D6]acetone
- CHEBI:78217
- d-6 acetone
- (2H6)Acetone
- MFCD00044635
- AKOS015904559
- SCHEMBL222610
- 2-PROPANONE-D6
- DTXCID50139258
- DTXSID20216767
- RefChem:109002
- UNII-B0N19B53H8
- EINECS 211-563-9
- Acetone D6 >99.8%
- Perdeuteroacetone
- Acetone D6 >99.96%
- Hexadeuteroacetone
- PERDEUTERIOACETONE
- ((2)H6)propan-2-one
- hexadeuterioacetone
- Acetone, perdeutero-
- (~2~H_6_)Propan-2-one
- ACETONE (1,1,1,3,3,3-D6)
- Acetone-d6, 99.5 atom % D
- Acetone-d6, 99.9 atom % D
- Hexadeuteroacetone 99.9%D
- 2-Propanone-1,1,1,3,3,3-D6
- Acetone-d6 (reagent grade)
- 2-Propanone-1,1,1,3,3,3-D6-
- CSCPPACGZOOCGX-WFGJKAKNSA-N
- Acetone D6 >99.96% (+ 0.03% TMS)
- Acetone-d6 (99.9 atom per cent D)
Show 12 more names Show fewer names
- Acetone-d6, "100%", 99.96 atom % D
- 1,1,1,3,3,3-HEXADEUTERO-2-PROPANONE
- 1,1,1,3,3,3-hexadeuteriopropan-2-one
- Acetone-D6 (D, 99.9%) +0.03% V/V Tms
- Acetone-D6 (D, 99.9%) +0.05% v/v TMS
- Acetone-d6, ampule, >=99.95 atom % D
- 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 0.03 % (v/v) TMS
- Acetone-d6, contains 0.05 % (v/v) TMS, 99.9 atom % D
- Acetone-d6, >=99.9 atom % D, contains 0.1 % (v/v) TMS
- Acetone-d6, >=99.9 atom % D, contains 0.03 % (v/v) TMS
Frequently asked questions
What is the CAS number of Acetone-D6?
The CAS Registry Number for Acetone-D6 is 666-52-4.
What is the IUPAC name of Acetone-D6?
The IUPAC name of Acetone-D6 is 1,1,1,3,3,3-hexadeuteriopropan-2-one.
What is the molecular formula of Acetone-D6?
Acetone-D6 has the molecular formula C3H6O and a molecular weight of 64.12 g/mol.
What is the SMILES notation for Acetone-D6?
The SMILES notation for Acetone-D6 is [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H].
Is Acetone-D6 hazardous?
Acetone-D6 carries the following GHS hazard classifications: Flammable, Health Hazard. Signal word: Danger.
What are other names for Acetone-D6?
Acetone-D6 is also known as ((2)H6)propan-2-one, (~2~H_6_)Propan-2-one, (2H6)Acetone, (CD3)2CO, [D6]acetone.
Data sourced from PubChem CID 522220. Last updated .
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