Acetic acid-2,2,2-d3
Acetic acid-2,2,2-d3 (CAS 1112-02-3) is the methyl-deuterated form of acetic acid, with the linear formula CD3CO2H and a molecular weight of about 63.07 g/mol. In this stable-isotope reagent the three methyl hydrogens are replaced by deuterium at 99 atom % D, giving an M+3 mass shift. It is a clear, corrosive, flammable liquid used chiefly in NMR spectroscopy, as a precursor for deuterium-labelled compounds, and in metabolic and mechanistic research. Tech Serve Solutions supplies and exports it worldwide.
- Synonyms
- Acetic acid-2,2,2-d3Acetic-d3 acidAcetic acid (methyl-d3)CD3CO2HCD3COOHTrideuterioacetic acidMethyl-d3 acetic acidCAS 1112-02-3
Deuterium-labelled synthesis
Serves as a CD3-bearing building block for preparing acetyl- and methyl-labelled compounds. The deuterated acetate group is introduced into target molecules for tracer studies and reference standards.
NMR spectroscopy and isotope studies
Used as a deuterated reagent and internal reference in NMR work, where the high isotopic enrichment simplifies spectra and supports kinetic isotope effect investigations.
Metabolic and mechanistic research
The M+3 mass shift makes it a useful tracer in mass-spectrometry-based metabolic and pathway studies, allowing the labelled acetate to be distinguished from endogenous material.
Analytical reference material
Applied as a labelled internal standard and calibration reagent in quantitative LC-MS and GC-MS methods that require an isotopically distinct analogue of acetic acid.
| Molecular weight | 63.07 |
|---|---|
| Linear formula | CD3CO2H |
| Boiling point | 117-118 °C(lit.) |
| Density | 1.101 g/mL at 25 °C |
| Refractive index | n20/D 1.369(lit.) |
| Melting point | 16.2 °C(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Flash point | 40 °C / 104 °F |
|---|---|
| Transport (UN / ADR) | UN 2789 8/PG 2 |
| Water hazard class (WGK, DE) | 1 |
| Hazard codes (EU) | C |
| Risk statements (R) | 10-35 |
| Safety statements (S) | 23-26-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
| Isotopic Purity | 99 atom % D |
|---|---|
| Mol Wt | mol wt 63.04 by atom % calculation |
| Mass Shift | M+3 |
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Acetic acid-2,2,2-d3 used for?
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It is a stable-isotope (deuterium-labelled) reagent used mainly in NMR spectroscopy, as a precursor for synthesising deuterium-labelled compounds, and as a tracer or internal standard in metabolic, mechanistic and mass-spectrometry research. Its CD3CO2H structure provides an M+3 mass shift relative to ordinary acetic acid.
What is the CAS number and molecular formula of Acetic acid-2,2,2-d3?
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The CAS number is 1112-02-3 and the linear formula is CD3CO2H, the d3-methyl analogue of acetic acid. Its molecular weight is approximately 63.07 g/mol (about 63.04 by atom % calculation), and the MDL number is MFCD00190375.
What grade and purity does Tech Serve Solutions supply?
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It is supplied as a research-grade stable-isotope reagent with an isotopic enrichment of 99 atom % D. Reported physical data include a boiling point of 117-118 C, density 1.101 g/mL at 25 C and refractive index n20/D 1.369. We do not represent this product as USP, BP or EP pharmacopoeial grade; please request the current specification for your batch.
What are the safety and handling hazards of Acetic acid-2,2,2-d3?
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It is classified as a flammable liquid and vapour (H226) and as causing severe skin burns and eye damage (H314), with signal word Danger and pictograms GHS02 and GHS05. Keep it away from heat and ignition sources (flash point about 40 C), handle with protective gloves, eye and face protection, and on skin or eye contact rinse cautiously and seek medical attention. Always consult the Safety Data Sheet before use.
Is Acetic acid-2,2,2-d3 a controlled or scheduled substance?
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The supplied data does not indicate that this product is a controlled or scheduled substance. It is, however, classified as a Class 8 corrosive and flammable material for transport (UN 2789, packing group II) and German water hazard class WGK 1, so it must be shipped and stored under the appropriate dangerous-goods controls.
How is Acetic acid-2,2,2-d3 packed, shipped and exported?
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It is packed in suitable laboratory and bulk containers for a corrosive, flammable liquid and shipped as UN 2789, Class 8, packing group II under applicable ADR/IMDG/IATA dangerous-goods rules. As an established exporter, Tech Serve Solutions arranges compliant labelling, documentation and global delivery.
How do I request a sample or quote?
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Contact Tech Serve Solutions with your required quantity, packaging and destination, and our team will provide a quotation, the current product specification and lead time. Sample availability can be confirmed on request.
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