Acetic acid-2-13C,2,2,2-d3
Acetic acid-2-13C,2,2,2-d3 (CAS 79562-15-5) is a doubly stable-isotope-labelled form of acetic acid, with a carbon-13 atom and three deuteriums on the methyl group. Its linear formula is 13CD3CO2H and its molecular weight is approximately 64.06 g/mol. Supplied at high isotopic enrichment (99 atom % 13C, 99 atom % D), it is a corrosive, flammable liquid used chiefly as an internal standard and tracer in NMR, mass spectrometry and metabolic studies. Tech Serve Solutions supplies and exports it worldwide.
- Synonyms
- Acetic acid-2-13C,2,2,2-d313CD3CO2HAcetic acid (13C, d3)Acetic-13C,d3 acidCAS 79562-15-5
NMR and mass spectrometry internal standard
The dual 13C and deuterium labelling produces a distinct M+4 mass shift, making this compound a useful internal standard and reference for quantitative NMR and mass-spectrometry methods. It allows analytes to be distinguished from the labelled tracer with high confidence.
Isotopic tracer for metabolic and mechanistic studies
As a labelled analogue of acetic acid, it serves as a tracer to follow acetyl and acetate incorporation in metabolic, biochemical and reaction-mechanism research. The stable isotopes permit non-radioactive tracking of carbon and hydrogen pathways.
Synthesis of isotope-labelled compounds
It is used as a labelled building block in organic and chemical synthesis to introduce 13C and deuterium into target molecules. This supports preparation of labelled intermediates, reference materials and acetylating reagents.
Analytical reference and method development
The defined isotopic enrichment and well-characterised physical properties make it suitable as a reference material for developing and validating analytical methods. It is applied across laboratory research and quality-control workflows.
| Molecular weight | 64.06 |
|---|---|
| Linear formula | 13CD3CO2H |
| Boiling point | 117-118 °C(lit.) |
| Density | 1.118 g/mL at 25 °C |
| Refractive index | n20/D 1.37(lit.) |
| Vapour pressure | 11.4 mmHg (20 °C) |
| Vapour density | 2.07 (vs air) |
| Melting point | 16.2 °C(lit.) |
| Autoignition temp | 800 °F |
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 % 13C99 atom % D |
|---|---|
| Mol Wt | mol wt 64.02 by atom % calculation |
| Expl Lim | 16 % |
| Mass Shift | M+4 |
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-2-13C,2,2,2-d3 used for?
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It is used mainly as a stable-isotope-labelled internal standard and tracer in NMR spectroscopy, mass spectrometry and metabolic studies, and as a labelled building block for synthesising isotope-enriched compounds. The combined 13C and deuterium labels give a clear M+4 mass shift for reliable analytical tracking.
What is the CAS number and molecular formula of Acetic acid-2-13C,2,2,2-d3?
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The CAS number is 79562-15-5 and the linear formula is 13CD3CO2H, indicating carbon-13 and three deuterium atoms on the methyl group. Its molecular weight is approximately 64.06 g/mol (MDL number MFCD00055806).
What grade and purity does Tech Serve Solutions supply?
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It is supplied as a stable-isotope-labelled research and reagent-grade material at high isotopic enrichment, typically 99 atom % 13C and 99 atom % D. We do not represent it as USP, BP or EP pharmacopoeia grade; please confirm your required specification when requesting a quote.
What are the safety and handling requirements?
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It is classified as a flammable liquid and vapour (H226) and causes severe skin burns and eye damage (H314), with signal word Danger and GHS pictograms GHS02 and GHS05. Keep away from heat and ignition sources, wear suitable protective gloves, clothing and eye protection, and handle with appropriate ventilation. In case of skin or eye contact, rinse cautiously with water and seek medical attention.
How is Acetic acid-2-13C,2,2,2-d3 packed, shipped and exported?
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It is packed in sealed, compatible containers suited to a corrosive, flammable liquid and labelled to GHS standards. For transport it is classified as UN 2789, Class 8, Packing Group II, and is shipped internationally as dangerous goods with full documentation. Pack sizes can be tailored to laboratory and research requirements.
How do I request a sample or quote?
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Contact Tech Serve Solutions with your required quantity, isotopic specification and destination, and our team will respond with availability, lead time and export details. We supply and export stable-isotope-labelled reagents to research and industrial customers worldwide.
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