Cas no 666-52-4 (Acetone-d6)
Acetone-d6 (Deuterated Acetone, C3D6O) is a deuterated solvent widely used in NMR spectroscopy due to its high isotopic purity and minimal interference with proton signals. Its excellent solubility for organic compounds and stable deuteration (≥99.8%) make it ideal for precise structural analysis, reaction monitoring, and quantitative studies in deuterium-labeled environments.
Acetone-d6 structure
Product Name:Acetone-d6
CAS No:666-52-4
MF:C3H6O
MW:64.1161
MDL:MFCD00044635
CID:82945
PubChem ID:24850533
Update Time:2025-06-17
Acetone-d6 Chemical and Physical Properties
Names and Identifiers
-
- Acetone-d6
- DEUTEROACETONE
- HEXADEUTEROACETONE
- (2H6)Propan-2-one
- (CD3)2CO
- 1,1,1,3,3,3-hexadeuterio-propan-2-one
- 2-Propanone-1,1,1,3,3,3-d6
- 2-Propanone-1,1,1,3,3,3-D6-
- Acetone, perdeutero-
- Perdeuteroacetone
- (2H6)acetone
- ACETONE-D(6) >
- Acetone-d6(DNPHDerivative)
- Perdeuterioacetone
- Hexadeuteroacetone 99.9atom%D
- Acetone d6
- d6-acetone
- CSCPPACGZOOCGX-WFGJKAKNSA-N
- B0N19B53H8
-
- MDL： MFCD00044635
- Inchi： 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
- InChI Key： CSCPPACGZOOCGX-WFGJKAKNSA-N
- SMILES： O=C(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 64.08
- Monoisotopic Mass: 64.08
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 26.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -0.1
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Colorless transparent liquid
- Density: 0.872?g/mL?at 25?°C(lit.)
- Melting Point: ?93.8?°C (lit.)
- Boiling Point: 55.5?°C(lit.)
- Flash Point: Fahrenheit: -2.2 ° f
Celsius: -19 ° c - Refractive Index: n20/D 1.355(lit.)
- PH: 5-6 (365g/l, H2O)
- Water Partition Coefficient: Soluble in water.
- Stability/Shelf Life: 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.
- PSA: 17.07000
- LogP: 0.59530
- Vapor Pressure: 14.39 psi ( 55 °C)
184 mmHg ( 20 °C)
3.67 psi ( 20 °C) - Sensitiveness: Easily absorb moisture
- Solubility: It is miscible with water, ethanol, ether and chloroform. It can dissolve fat, oil, wax and fiber.
Acetone-d6 Security Information
-
Symbol:
- Prompt：dangerous
- Signal Word：Danger
- Hazard Statement： H225,H319,H336
- Warning Statement： P210,P261,P305+P351+P338
- Hazardous Material transportation number：UN1090 - class 3 - PG 2 - Acetone
- WGK Germany：3
- Hazard Category Code： 11-36-66-67
- Safety Instruction： 9-16-26
- FLUKA BRAND F CODES：10-21
-
Hazardous Material Identification：
- HazardClass：3
- PackingGroup：II
- Explosive Limit：2.6-12.8%(V)
- Storage Condition：Flammable area
Acetone-d6 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | A0638-10ml |
Acetone-d6 99.9atom%D |
666-52-4 | 10ml |
￥530.00 | 2024-04-15 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | AV202-25ml |
Acetone-d6 |
666-52-4 | 99.9 atom%D,cont.0.03V/V% TMS | 25ml |
718CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | AI314-10×0.5ml |
Acetone-d6 |
666-52-4 | 99.9 atom%D | 10×0.5ml |
274CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | AV202-10×0.5ml |
Acetone-d6 |
666-52-4 | 99.9 atom%D,cont.0.03V/V% TMS | 10×0.5ml |
311CNY | 2021-05-07 | |
| Fluorochem | D-038-5ml |
Acetone D6 >99.96% |
666-52-4 | 5ml |
￡18.00 | 2021-07-01 | ||
| Fluorochem | D-038-10ml |
Acetone D6 >99.96% |
666-52-4 | 10ml |
￡29.50 | 2022-02-28 | ||
| Fluorochem | D-038-0.75ml |
Acetone D6 >99.96% |
666-52-4 | 0.75ml |
￡42.00 | 2022-02-28 | ||
| Fluorochem | D-009-0.6ml |
Acetone D6 >99.8% |
666-52-4 | >99.8% | 0.6ml |
￡16.80 | 2022-02-28 | |
| Fluorochem | D-009-10ml |
Acetone D6 >99.8% |
666-52-4 | >99.8% | 10ml |
￡77.50 | 2022-02-28 | |
| Fluorochem | D-009-0.75ml |
Acetone D6 >99.8% |
666-52-4 | >99.8% | 0.75ml |
￡18.30 | 2022-02-28 |
Acetone-d6 Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:666-52-4)Acetone-d6
Order Number:A1204621
Stock Status:in Stock
Quantity:7.5ml
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:53
Price ($):166.0
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:666-52-4)氘代丙酮
Order Number:LE25905159
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:53
Price ($):discuss personally
Email:[email protected]
Acetone-d6 Related Literature
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Liuzhou Gao,Guoqiang Wang,Hui Chen,Jia Cao,Xiaoshi Su,Xueting Liu,Mo Yang,Xu Cheng,Shuhua Li Org. Chem. Front. 2020 7 2744
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Xian-Tao Wu,Feng Ma,En-Kai Xiao,Jin Yin,Fuxing Sun,Qiang Wang,Yi-Jun Jiang,Peng Chen Org. Biomol. Chem. 2022 20 7491
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Shangfu Li,Yibao Jin,Jue Wang,Zhi Tang,Shunqing Xu,Tiejie Wang,Zongwei Cai Analyst 2016 141 1144
-
Chen Zhang,Dao-Min Zhuang,Jia Li,Si-Yuan Chen,Xiao-Long Du,Jian-Yong Wang,Jing-Yun Li,Biao Jiang,Jian-Hua Yao Org. Biomol. Chem. 2013 11 5621
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Luis H. Tagle,Claudio A. Terraza,Alain Tundidor-Camba,Pablo A. Ortiz RSC Adv. 2014 4 30197
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