≥99.96 atom% D, contains 0.03 % (v/v) TMS for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
description：
Acetone-d6 is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its Infrared and Raman spectra have been analyzed. Pyrolysis and photolysis of acetone-d6 and methane mixtures have been investigated as a function of temperature. It has been reported to be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.
application：
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.
| Canonical Smiles | CC(=O)C |
|---|---|
| IUPAC Name | 1,1,1,3,3,3-hexadeuteriopropan-2-one |
| InChIKey | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| INCHI | 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 |
| Isomeric SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] |
| WGK Germany | 3 |
| Alternate CAS | 67-64-1 |
| UN Number | 1090 |
| Packing Group | II |
| Molecular Weight | 64.12 |
| Beilstein | 1702935 |
| Reaxy-Rn | 635680 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635680&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | propanone - deuterated compound |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2209034 | Certificate of Analysis | Feb 04, 2026 | A100963 |
| H2209035 | Certificate of Analysis | Feb 04, 2026 | A100963 |
| D2409016 | Certificate of Analysis | Jan 20, 2026 | A100963 |
| I1609055 | Certificate of Analysis | Oct 14, 2025 | A100963 |
| F2523304 | Certificate of Analysis | Jul 03, 2025 | A100963 |
| A2221068 | Certificate of Analysis | Feb 10, 2022 | A100963 |
| A2212244 | Certificate of Analysis | Dec 11, 2021 | A100963 |
| A2212250 | Certificate of Analysis | Dec 11, 2021 | A100963 |
| A2212251 | Certificate of Analysis | Dec 11, 2021 | A100963 |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.36 |
| Flash Point(°F) | -2.2 °F |
| Flash Point(°C) | -19°C |
| Boil Point(°C) | 55.5 °C |
| Melt Point(°C) | −93.8 °C |
| Molecular Weight | 64.120 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 64.0795 Da |
| Monoisotopic Mass | 64.0795 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 4 |
| Formal Charge | 0 |
| Complexity | 26.300 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Dezhong Xu, Ao Li, Weijie Lin, Qiuxia Zou, Shuai Wu, Ajoy Kanti Mondal, Wangchuan Xiao, Fang Huang. (2023) Preparation and characterization of pH and thermally responsive perfluoropolyether acrylate copolymer micelles and investigation its drug-loading properties. JOURNAL OF APPLIED POLYMER SCIENCE, 140 (18): (e53805). [PMID:] [10.1002/app.53805] |
| 2. Ming Yuan, Dayun Huang, Zefeng Wang, Xin Chen, Minghua Yang. (2022) Synthesis of ultra-high molecular weight poly(methyl methacrylate) with hydrosilane as initiator. Materials Today Communications, [PMID:] [10.1016/j.mtcomm.2022.104927] |
| 3. Zhang Lei, Chen Zhe, Liu Zhenpeng, Bu Jun, Ma Wenxiu, Yan Chen, Bai Rui, Lin Jin, Zhang Qiuyu, Liu Junzhi, Wang Tao, Zhang Jian. (2021) Efficient electrocatalytic acetylene semihydrogenation by electron–rich metal sites in N–heterocyclic carbene metal complexes. Nature Communications, 12 (1): (1-9). [PMID:34772929] [10.1038/s41467-021-26853-0] |
| 4. Yujian Liu, Qun Jia, Yuansheng Ding, Yougen Chen. (2020) Synthesis of Polyacrylate-Based Polyurethane by Organocatalyzed Group Transfer Polymerization and Polyaddition. MACROMOLECULAR CHEMISTRY AND PHYSICS, 221 (18): (2000217). [PMID:] [10.1002/macp.202000217] |
| 5. Yawen You, Jiawei Zhu, Fang Pu, Wenjie Wang, Minhao Jiang, Jinsong Ren, Xiaogang Qu. (2024) Polyvalent DNA-based bioorthogonal nano-agonist for robust chemo-immunotherapy. Materials Today, [PMID:] [10.1016/j.mattod.2024.03.017] |
| 6. Shasha Tian, Zian Mao, Yuexia Wang, Kewei Li, Yafei Li, Bingqi Zhu, Fangmei Zhou, Jingchao Li, Yingzhi Shen, Zhishan Ding. (2025) Structural characterization and immunomodulatory activity analysis of a novel pectic polysaccharide extracted from Tetrastigma hemsleyanum Diels et Gilg and its hydrolysis products. CARBOHYDRATE POLYMERS, [PMID:40159016] [10.1016/j.carbpol.2025.123502] |
| 7. Jinlong Liu, Meiyan Qin, Yimin Shi, Rui Jiang, Zizhen Wang, Lingqian Zhang, Yang Zhao, Hang Gao, Mingxiao Li, Chengjun Huang. (2024) Volatile carbonyl metabolites analysis of nanoparticle exposed lung cells in an organ-on-a-chip system. TALANTA, [PMID:38599125] [10.1016/j.talanta.2024.126066] |
