JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Chemistry & Biochemicals
Lab Chemicals
Solvents
Acetone-d6 - (D, 99.96%), high purity , CAS No.666-52-4

Skip to the end of the images gallery

Skip to the beginning of the images gallery

Acetone-d6 - (D, 99.96%), high purity , CAS No.666-52-4

7 Citations

COA

Grade & Purity:

≥99.96 atom% D

Cas Number: 666-52-4
Molecular Weight: 64.12
Beilstein Registry Number: 1702935
EC Number: 211-563-9
MDL number: MFCD00044635
PubChem CID: 522220

In stock

Item Number

A123143

Grouped product items
SKU	Size	Availability	Price
A123143-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$68.90
A123143-5ml	5ml	2	$309.90
A123143-10×0.5ml	10×0.5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$377.90
A123143-10×0.75ml	10×0.75ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$480.90
A123143-25ml	25ml	1	$1,373.90

Basic Description

Synonyms	Acetone-d6, '100%', 99.96 atom % D \| Carbamic acid, N-(4-amino-1-methylcyclohexyl)-, 1,1-dimethylethyl ester \| D88298 \| Acetone-d6 (99.9 atom per cent D) \| 1,1,1,3,3,3-HEXADEUTERO-2-PROPANONE \| Acetone-d6, 99.9 atom % D, contains 0.03 % (v/v) TMS \| Aceto
Specifications & Purity	≥99.96 atom% D
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Product Describtion: Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst. Acetone-d6 (CD3COCD3, Hexadeuteroacetone) is the hexadeuterated form of acetone. It is 100% NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Absorption spectra of CD3COCD3 samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm-1. Collision of its molecular ions with a perdeuterated surface (C20D41 SAu) was investigated by ion-surface collision spectroscopy. The Infrared and Raman spectra of acetone-d6 have been analyzed.4 It undergoes H-2H exchange reaction with acetone d0 to afford acetone d1 and d5. Product Application： Acetone-d6 has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (S)-2-(6-((3-((15-carboxypentadecyl)disulfanyl)propoxy)carbonyloxy)benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,1,1,3,3,3-hexadeuteriopropan-2-one
INCHI	InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChIKey	CSCPPACGZOOCGX-WFGJKAKNSA-N
Smiles	CC(=O)C
Isomeric SMILES	[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
WGK Germany	3
Alternate CAS	67-64-1
UN Number	1090
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C1608063	Certificate of Analysis	Oct 08, 2023	A123143
H2213034	Certificate of Analysis	Jul 09, 2022	A123143
H2213036	Certificate of Analysis	Jul 09, 2022	A123143
H2213037	Certificate of Analysis	Jul 09, 2022	A123143
B2222242	Certificate of Analysis	Jan 12, 2022	A123143
B2222372	Certificate of Analysis	Jan 12, 2022	A123143
B2222237	Certificate of Analysis	Jan 12, 2022	A123143

Chemical and Physical Properties

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 Å²
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

Documents & Articles

Should my NMR solvents be handled in a special way?

Categories: FAQs

Tags:

Storage and Use Information Guide of NMR Solvents

Categories: Technical articles

Tags:

Stable isotope Deuterium reagent Solvent for NMR Deuterated chloroform

Citations of This Product

How to Cite Aladdin Scientific Products?

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).
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, 33 (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).
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).
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,
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, 357 (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, 274 (126066).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.