2-(2H3)Methyl(2H9)pentane-2,4-diol
2-(2H3)Methyl(2H9)pentane-2,4-diol structure
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Common Name | 2-(2H3)Methyl(2H9)pentane-2,4-diol | ||
|---|---|---|---|---|
| CAS Number | 284474-72-2 | Molecular Weight | 130.248 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 197.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H2D12O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 93.9±0.0 °C | |
Use of 2-(2H3)Methyl(2H9)pentane-2,4-diolHexylene glycol-d12 is the deuterium labeled Hexylene glycol[1]. |
Summary: 2-甲基-2,4-pentane-d12-diol (2-methyl-2,4-pentane-d12-diol) has a CAS number of 284474-72-2 and a molecular formula of C6H2D12O2 with a molecular weight of 130.248. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methyl-2,4-pentane-d12-diol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Hexylene glycol-d12 is the deuterium labeled Hexylene glycol[1]. |
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| Related Catalog | |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 197.5±0.0 °C at 760 mmHg |
| Molecular Formula | C6H2D12O2 |
| Molecular Weight | 130.248 |
| Flash Point | 93.9±0.0 °C |
| Exact Mass | 130.174698 |
| PSA | 40.46000 |
| LogP | 0.00 |
| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
| Index of Refraction | 1.447 |
| InChIKey | SVTBMSDMJJWYQN-WWKUACGSSA-N |
| SMILES | CC(O)CC(C)(C)O |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(H)Methyl-2,4-(H)pentanediol |
| 2-(H)Methyl(H)pentane-2,4-diol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2-methyl-2,4-pentane-d12-diol? |
| A: LogP of 2-methyl-2,4-pentane-d12-diol is 0.00. |
| Q: What are the uses of 2-methyl-2,4-pentane-d12-diol? |
| A: Main uses of 2-methyl-2,4-pentane-d12-diol: Hexylene glycol-d12 is the deuterium labeled Hexylene glycol[1]. |
| Q: What is the CAS number of 2-methyl-2,4-pentane-d12-diol? |
| A: CAS number of 2-methyl-2,4-pentane-d12-diol is 284474-72-2. |
| Q: What is the polar surface area (PSA) of 2-methyl-2,4-pentane-d12-diol? |
| A: Polar surface area (PSA) of 2-methyl-2,4-pentane-d12-diol is 40.46000. |
| Q: What is the SMILES notation of 2-methyl-2,4-pentane-d12-diol? |
| A: SMILES notation of 2-methyl-2,4-pentane-d12-diol is CC(O)CC(C)(C)O. |
| Q: What is the InChIKey of 2-methyl-2,4-pentane-d12-diol? |
| A: InChIKey of 2-methyl-2,4-pentane-d12-diol is SVTBMSDMJJWYQN-WWKUACGSSA-N. |
| Q: What is the molecular weight of 2-methyl-2,4-pentane-d12-diol? |
| A: Molecular weight of 2-methyl-2,4-pentane-d12-diol is 130.248. |
| Q: What English synonyms does 2-methyl-2,4-pentane-d12-diol have? |
| A: English synonyms of 2-methyl-2,4-pentane-d12-diol: 2-(H)Methyl-2,4-(H)pentanediol, 2-(H)Methyl(H)pentane-2,4-diol. |
| Q: What is the molecular formula of 2-methyl-2,4-pentane-d12-diol? |
| A: Molecular formula of 2-methyl-2,4-pentane-d12-diol is C6H2D12O2. |
| Q: What is the boiling point of 2-methyl-2,4-pentane-d12-diol? |
| A: Boiling point of 2-methyl-2,4-pentane-d12-diol is 197.5±0.0 °C at 760 mmHg. |