Acetic acid-d₄ - ≥99.5 atom% D , CAS No.1186-52-3

CAS: 1186-52-3 Cat. No.: A111246 Formula: C₂D₄O₂ Peso molecolare: 64.08 Beilstein Registry Number: 1748971 Numero EC: 214-693-4

GRADE & PURITY ≥99.5 atom% D

Synonyms

Acetic Acid D4 >99.5% | 2-AMINO-6-CHLORO-9H-PURINE-9-ACETICACID | Acetic acid-d4 | ?ACETIC-D3 ACID-D | ACETIC-D3 ACID-D(6CI,7CI,8CI,9CI) | EINECS 214-693-4 | Acetic acid-d4, >=99.5 atom % D, contains 0.03 % (v/v) TMS | Acetic acid-d4, '100%', 99.96 atom %

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

Acetic acid-d4 (Tetradeuteroacetic acid), a deuterated carboxylic acid, is the tetradeuterated form of acetic acid. Its dissociation constant has been evaluated in deuterium oxide (D2O) by an emf method.

Specifications

Sinonimi

Acetic Acid D4 >99.5% | 2-AMINO-6-CHLORO-9H-PURINE-9-ACETICACID | Acetic acid-d4 | ?ACETIC-D3 ACID-D | ACETIC-D3 ACID-D(6CI,7CI,8CI,9CI) | EINECS 214-693-4 | Acetic acid-d4, >=99.5 atom % D, contains 0.03 % (v/v) TMS | Acetic acid-d4, '100%', 99.96 atom %

Specifiche e purezza

≥99.5 atom% D

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99.5 atom% D

Nomi e identificatori

• Pubchem Sid: 504760829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760829
• Sorrisi canonici: CC(=O)O
• IUPAC Name: deuterio 2,2,2-trideuterioacetate
• InChIKey: QTBSBXVTEAMEQO-GUEYOVJQSA-N
• INCHI: 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
• Isomeri SMILES: [2H]C([2H])([2H])C(=O)O[2H]
• WGK Germania: 3
• CAS alternativo: 64-19-7(unlabled)
• Numero UN: 2789
• Gruppo di imballaggio: II
• Peso molecolare: 64.08
• Beilstein: 1748971
• Reaxy-Rn: 506007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, ethanol and ether.
• Sensibilità: Light sensitive,Hygroscopic.
• Indice di rifrazione: 1.368
• Punto di infiammabilità (°F): 104 °F
• Punto di infiammabilità (°C): 40 °C
• Punto di ebollizione (°C): 115.5°C
• Punto di fusione (°C): 15-16°C
• Peso molecolare: 64.080 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 64.0462 Da
• Monoisotopic Mass: 64.0462 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.000
• Isotope Atom Count: 4
• 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

Riferimenti

1. Yunheng Yao, Longlv Bai, Haifeng Tian, Xinzi Wu, Nianjie Zhang, Lunpeng Wu, Yifan Jia, Xiuli Ren.  (2021)  A fluorinated chitosan-based QuEChERS method for simultaneous determination of 20 organophosphorus pesticide residues in ginseng using GC–MS/MS.  BIOMEDICAL CHROMATOGRAPHY,  35  (12): (e5209).  [PMID:34216008] [10.1002/bmc.5209]

2. Yafei Zhang, Xiaojing Tian, Kai Zhang, Kaixuan Zhao, Yang Wang, Chenwei Ma, Jingjing Guo, Wenhang Wang.  (2024)  Construction of phenolic acids grafted chitosan bioactive microspheres to reduce oxidation and iron absorption in meat digestion.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38490376] [10.1016/j.ijbiomac.2024.130897]

3. Qiuyi Jing, Hong Pan, Xiaoli Li, Yaya Fan, Jingshan Shi, Chao Fang, Fuguo Shi.  (2025)  Covalent protein modification by multiple reactive dialdehyde metabolites of catalpol via intestinal bioactivation.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:40156966] [10.1016/j.jpba.2025.116841]

4. Junren Xu, Jing Lu, Shanliang Fu, Na Li, Yiqiao Zhao, Kunbo Wang, Zhonghua Liu, Taolin Chen, Jianan Huang, Mingzhi Zhu.  (2025)  Simultaneous detection of amino acids and short-chain fatty acids in tea using rapid pre-column derivatization coupled with GC–MS: Exploring their spatial distribution in tea trees and the impact of processing techniques on their content.  FOOD CHEMISTRY,      [PMID:40117814] [10.1016/j.foodchem.2025.143800]

Domande frequenti

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99.5 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1186-52-3, the molecular formula is C2D4O2, and the molecular weight is 64.08 g/mol. InChIKey QTBSBXVTEAMEQO-GUEYOVJQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.