CAS 595-46-0|2,2-Dimethylmalonic acid
| Common Name | 2,2-Dimethylmalonic acid | ||
|---|---|---|---|
| CAS Number | 595-46-0 | Molecular Weight | 132.115 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 310.2±25.0 °C at 760 mmHg |
| Molecular Formula | C5H8O4 | Melting Point | 191-193 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 155.6±19.7 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Dimethylmalonic acid |
|---|---|
| Synonym | More Synonyms |
2,2-Dimethylmalonic acid BiologicalActivity
| Description | Dimethylmalonic acid is a short-chain dicarboxylic acid in human serum. Dimethylmalonic acid is also a volatile organic compound detected in alveolar breath[1]. |
|---|---|
| Related Catalog | Research Areas >>Others |
| Target | Human Endogenous Metabolite |
| References | [1]. David A. Evans, et al. An Improved Procedure for the Preparation of 2,2-Bis[2-[4(S)- tert-butyl-1,3-oxazolinyl]]propane [(S,S)-tert-Butylbis(oxazoline)] and Derived Copper(II) Complexes. J. Org. Chem. 1998, 63, 13, 4541-4544. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 310.2±25.0 °C at 760 mmHg |
| Melting Point | 191-193 °C(lit.) |
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.115 |
| Flash Point | 155.6±19.7 °C |
| Exact Mass | 132.042252 |
| PSA | 74.60000 |
| LogP | 0.14 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.476 |
| InChIKey | OREAFAJWWJHCOT-UHFFFAOYSA-N |
| SMILES | CC(C)(C(=O)O)C(=O)O |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
Articles9
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| Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as (31)P qNMR standards. Anal. Bioanal. Chem 407 , 3115-3123, (2015) Quantitative nuclear magnetic resonance (qNMR) spectroscopy is employed by an increasing number of analytical and industrial laboratories for the assignment of content and quantitative determination o... | |
| Using high-performance ¹H NMR (HP-qNMR®) for the certification of organic reference materials under accreditation guidelines--describing the overall process with focus on homogeneity and stability assessment. J. Pharm. Biomed. Anal. 93 , 102-110, (2014) Quantitative NMR spectroscopy (qNMR) is gaining interest across both analytical and industrial research applications and has become an essential tool for the content assignment and quantitative determ... |
Synonyms
| Propanedioic acid, 2,2-dimethyl- |
| MFCD00004193 |
| Dimethylpropanedioic acid |
| Dimethylmalonic acid |
| Dimethyl-propanedioic acid |
| 2,2-dimethylpropanedioic acid |
| EINECS 209-867-1 |
