Cas no 79562-15-5 (Acetic Acid-2-13C-2,2,2-d3)
Technical Introduction: Acetic Acid-2-13C-2,2,2-d3
Acetic Acid-2-13C-2,2,2-d3 is a stable isotope-labeled variant of acetic acid, featuring 13C enrichment at the carbonyl carbon (position 2) and deuterium substitution at all three methyl hydrogens (2,2,2-d3). This compound is widely utilized in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) as an internal standard or tracer, ensuring high precision in metabolic and kinetic studies. The dual labeling minimizes spectral interference, enhancing signal resolution for accurate quantification. Its chemical stability and isotopic purity make it suitable for applications in pharmaceutical research, biochemistry, and environmental analysis, where precise tracking of molecular pathways is critical.
Acetic Acid-2-13C-2,2,2-d3 structure
Product Name:Acetic Acid-2-13C-2,2,2-d3
CAS No:79562-15-5
MF:C2H4O2
MW:64.0631008148193
CID:555407
PubChem ID:24858011
Update Time:2025-06-07
Acetic Acid-2-13C-2,2,2-d3 Chemical and Physical Properties
Names and Identifiers
-
- Acetic-2-13C-2,2,2-d3acid (9CI)
- ACETIC ACID-2-13C-2,2,2-D3
- ACETIC ACID-2-13C,2,2,2-D3
- <2-(2)H3,2-(13)C>acetic acid
- <2-13C,2-2H3>acetic acid
- 2-(13)C>acetate
- Aci-Jel-2-13C,d3
- D3]
- Ethanoic Acid-2-13C,d3
- Ethanoic Acid-2-13C,d3 Monomer
- Ethylic Acid-2-13C,d3
- Glacial Acetic-2-13C,d3 Acid
- Methanecarboxylic Acid-2-13C,d3
- Vinegar Acid-2-13C,d3
- 2,2,2-trideuterioacetic acid
- DTXSID30481080
- 79562-15-5
- Acetic acid-2-13C,2,2,2-d3, 99 atom % D, 99 atom % 13C
- Acetic Acid-2-13C-2,2,2-d3
-
- MDL： MFCD00055806
- Inchi： 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1D3
- InChI Key： QTBSBXVTEAMEQO-KQORAOOSSA-N
- SMILES： C(=O)(O)[13C]([2H])([2H])[2H]
Computed Properties
- Exact Mass: 61.02450
- Monoisotopic Mass: 64.043314439g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 31
- 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
- Topological Polar Surface Area: 37.3?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.2
Experimental Properties
- Density: 1.118?g/mL?at 25?°C
- Melting Point: 16.2?°C (lit.)
- Boiling Point: 117-118?°C(lit.)
- Flash Point: Fahrenheit: 104 ° f
Celsius: 40 ° c - Refractive Index: n20/D 1.37(lit.)
- PSA: 37.30000
- LogP: 0.09090
- Vapor Pressure: 11.4 mmHg ( 20 °C)
Acetic Acid-2-13C-2,2,2-d3 Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H226-H314
- Warning Statement： P210-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378
- Hazardous Material transportation number：UN 2789 8/PG 2
- WGK Germany：3
- Hazard Category Code： 10-35
- Safety Instruction： S16; S26; S36/37/39; S45
-
Hazardous Material Identification：
- Safety Term：16-26-36/37/39-45
- Risk Phrases：R10; R35
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
- Explosive Limit：16%
Acetic Acid-2-13C-2,2,2-d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A167644-25mg |
Acetic Acid-2-13C-2,2,2-d3 |
79562-15-5 | 25mg |
$ 224.00 | 2023-09-09 | ||
| TRC | A167644-250mg |
Acetic Acid-2-13C-2,2,2-d3 |
79562-15-5 | 250mg |
$ 1694.00 | 2023-09-09 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 299073-1G |
79562-15-5 | 1G |
￥15172.51 | 2022-08-18 | |||
| AN HUI ZE SHENG Technology Co., Ltd. | A167644-10mg |
Acetic-2-13c-2,2,2-d3acid |
79562-15-5 | 10mg |
￥1800.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | A167644-100mg |
Acetic-2-13c-2,2,2-d3acid |
79562-15-5 | 100mg |
￥14400.00 | 2023-09-15 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T30345-25mg |
ACETIC ACID-2-13C,2,2,2-D3 |
79562-15-5 | 25mg |
￥2520.00 | 2022-08-18 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T30345-250mg |
ACETIC ACID-2-13C,2,2,2-D3 |
79562-15-5 | 250mg |
￥19460.00 | 2022-08-18 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA00481-1g |
Acetic acid-2-13C,2,2,2-d3 |
79562-15-5 | 99% (CP) | 1g |
￥21248.0 | 2023-09-09 | |
| BAI LING WEI Technology Co., Ltd. | A167644-25mg |
Acetic Acid-2-13C-2,2,2-d3 |
79562-15-5 | 25mg |
￥ 2520 | 2022-08-22 | ||
| BAI LING WEI Technology Co., Ltd. | 299073-1G |
Acetic acid-2-13C,2,2,2-d3 |
79562-15-5 | 99 atom % D, 99 atom % 13C | 1G |
￥ 12192 | 2022-08-22 |
Acetic Acid-2-13C-2,2,2-d3 Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
79562-15-5 (Acetic Acid-2-13C-2,2,2-d3) Related Products
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