ACETONE-D6
- CAS No.
- 666-52-4
- Chemical Name:
- ACETONE-D6
- Synonyms
- (CD3)2CO;D6-Acetone;(2H6)Propan-2-one;Deuterated acetone;Acetone-d6, 100.0 atom % D, for NMR;NMR STD/1% CHLOROFORM/ACETONE-D6/10MMX8";Aceton-d6;ACETONE-D6;Acetone-d8;(2H6)acetone
- CBNumber:
- CB7693142
- Molecular Formula:
- C3D6O
- Molecular Weight:
- 64.12
- MDL Number:
- MFCD00044635
- MOL File:
- 666-52-4.mol
- MSDS File:
- SDS
| Melting point | −93.8 °C(lit.) |
|---|---|
| Melting point | -94°C |
| Boiling point | 56,5°C |
| Boiling point | 55.5 °C(lit.) |
| Density | 0.872 g/mL at 25 °C(lit.) |
| Density | d = 0,87 |
| vapor density | 2 (vs air) |
| vapor pressure | 14.39 psi ( 55 °C) |
| refractive index |
n |
| Flash point | 1 °F |
| storage temp. | Store below +30°C. |
| form | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
| Specific Gravity | 0.872 |
| color | Colorless |
| Solvent Residual Peak |
1H NMR：2.05 ppm (quint) 13C NMR：206.26±0.13 ppm(C=O, s), 29.84±0.01 ppm (CH₃, sept) |
| PH | 5-6 (365g/l, H2O) |
| explosive limit | 2.6-12.8%(V) |
| Water Solubility | Soluble in water. |
| BRN | 1702935 |
| Stability | Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flashpoint and wide explosion limits. Incompatible with bases, oxidising agents, strong acids, reducing agents. Protect from moisture. |
| InChI | 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 |
| InChIKey | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] |
| CAS DataBase Reference | 666-52-4(CAS DataBase Reference) |
| FDA UNII | B0N19B53H8 |
| EPA Substance Registry System | Acetone-d6 (666-52-4) |
| UNSPSC Code | 12190000 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H225-H319-H336 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P242-P305+P351+P338 | |||||||||
| target organs | Central nervous system | |||||||||
| Hazard Codes | F,Xi | |||||||||
| Risk Statements | 11-36-66-67 | |||||||||
| Safety Statements | 9-16-26-33-23 | |||||||||
| RIDADR | UN 1090 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-21 | |||||||||
| Autoignition Temperature | 465 °C DIN 51794 | |||||||||
| HS Code | 2845 90 10 | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 STOT SE 3 |
|||||||||
| Toxicity | LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
ACETONE-D6 price More Price(78)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 444863 | Acetone-d6 99.9 atom % D | 666-52-4 | 10ml | $61.9 | 2026-04-30 | Buy |
| Sigma-Aldrich | 434531 | Acetone-d6 99.9 atom % D, contains 0.03?% (v/v) TMS | 666-52-4 | 10g | $69 | 2026-04-30 | Buy |
| Sigma-Aldrich | 151793 | Acetone-d6 99.9 atom % D | 666-52-4 | 10x0.75ml | $60.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 151793 | Acetone-d6 99.9 atom % D | 666-52-4 | 10x1ml | $66.8 | 2026-04-30 | Buy |
| Sigma-Aldrich | 1.00021 | Acetone-D6 deuteration degree min. 99.9% for NMR spectroscopy MagniSolv? | 666-52-4 | 100mL | $513 | 2026-04-30 | Buy |
ACETONE-D6 Chemical Properties,Uses,Production
Preparation
Deuterated DMSO: DMSO is exchanged with heavy water in the presence of an alkaline catalyst (calcium oxide) to obtain DMSO-d6. This process needs to be repeated multiple times to obtain high-purity deuterated DMSO;
ACETONE-D6: Acetone is exchanged with heavy water in the presence of an alkaline catalyst (LiOD) to obtain ACETONE-D6;
Deuterated benzene: Benzene is exchanged with heavy water in the presence of a transition metal catalyst to obtain deuterated benzene;
Deuterated tetrahydrofuran: Tetrahydrofuran is obtained by... It is prepared by exchanging heavy water under metal catalysis;
Deuterated sodium hydroxide or deuterated potassium hydroxide can be prepared by reacting elemental metals with heavy water;
Deuterium gas: Deuterium gas can be prepared by electrolyzing deuterated water;
Lithium deuteride can be prepared by reacting metallic lithium with deuterium gas;
Similarly, sodium deuteride can be synthesized by reacting metallic sodium with deuterium gas;
With lithium deuteride, lithium aluminum deuteride is readily available. Deuterated lithium aluminum tetrahydrogen (lithium aluminum deuteride, LiAlD4) can be prepared by reacting lithium deuteride (LiD) with aluminum chloride.
Chemical Properties
colourless liquid
Uses
Isotope labelled Acetone is a common organic building block in organic chemistry.
Uses
Acetone-d6 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry.
Uses
Acetone-d6 may be used as a deuterated solvent in the 1H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers. It may also be used as a source of deuterium atoms in the synthesis of labelled sterols.
Definition
ChEBI: A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium.
General Description
Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.
ACETONE-D6 Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Wuhan eastop Technology Co., ltd.6 | 18086015167 17702779303 | service@isotopechina.com | China | 234 | 58 |
| Ningbo cuiying chemical technology co. LTD | 0574-88162057 18957423231 | 2317559463@qq.com | China | 323 | 58 |
| Reer Technology (Shanghai) Co., LTD | 021-64400900 15800436310 | bessey@reertech.com | China | 4097 | 58 |
| CHINA ISOTOPE CO., LIMITED | 02151600108 13062666369 | info@isotopechem.com | China | 4721 | 58 |
| Central China Special Gas (CCSG) Co., Ltd | 0734-8755555 15674722888 | lyq@ccsg.cn | China | 405 | 58 |
| Qingdao Tenglong microwave technology co., LTD. | 0532-83818797 17669478191 | sc@tlwb.com.cn | China | 3933 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
View Lastest Price from ACETONE-D6 manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-02 | ACETONE-D6
666-52-4
|
$1.00-100.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2019-07-06 | ACETONE-D6
666-52-4
|
$2.00 | 1kg | 99% | Career Henan Chemical Co |
-
- ACETONE-D6
666-52-4
- $1.00-100.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- ACETONE-D6
666-52-4
- $2.00
- 99%
- Career Henan Chemical Co
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