CAS 595-37-9|2,2-Dimethylbutanoic acid
| Common Name | 2,2-Dimethylbutanoic acid | ||
|---|---|---|---|
| CAS Number | 595-37-9 | Molecular Weight | 116.16 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 187.3±8.0 °C at 760 mmHg |
| Molecular Formula | C6H12O2 | Melting Point | -14°C |
| MSDS | ChineseUSA | Flash Point | 79.4±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 2,2-dimethylbutyric acid |
|---|---|
| Synonym | More Synonyms |
2,2-Dimethylbutanoic acid BiologicalActivity
| Description | Dimebutic acid is a fatty acid derivative[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Dr Susan P. Perrine MD, et al. Evaluation of Safety and Pharmacokinetics of Sodium 2,2 Dimethylbutyrate, a Novel Short Chain Fatty Acid Derivative, in a Phase 1, Double-Blind, Placebo-Controlled, Single-Dose, and Repeat-Dose Studies in Healthy Volunteers.Clinical Pharmacology Volume51, Issue8 August 2011 Pages 1186-1194 |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 187.3±8.0 °C at 760 mmHg |
| Melting Point | -14°C |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.16 |
| Flash Point | 79.4±0.0 °C |
| Exact Mass | 116.083733 |
| PSA | 37.30000 |
| LogP | 1.47 |
| Vapour Pressure | 0.3±0.7 mmHg at 25°C |
| Index of Refraction | 1.427 |
| InChIKey | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
| SMILES | CCC(C)(C)C(=O)O |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37 |
| WGK Germany | 3 |
| HS Code | 2915600000 |
Customs
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
Articles8
More Articles| Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma. J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 862(1-2) , 168-74, (2008) 2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies. To facilitate pharmacokinetic evaluation of DMB, we developed an LC-MS assay and quantitated DMB in plasma o... | |
| [Chemical components of essential oils from the herb of Ligularia virgaurea]. Zhongguo Zhong Yao Za Zhi 28(7) , 627-9, (2003) To provide the foundation for reasonable utilization by analyzing the essential oils of Ligularia virgaurea.The essential oils were extracted by using steam distillation and separated with GC capillar... | |
| A randomized phase I/II trial of HQK-1001, an oral fetal globin gene inducer, in β-thalassaemia intermedia and HbE/β-thalassaemia. Br. J. Haematol. 161(4) , 587-93, (2013) β-thalassaemia intermedia (BTI) syndromes cause haemolytic anaemia, ineffective erythropoiesis, and widespread complications. Higher fetal globin expression within genotypes reduces globin imbalance a... |
Synonyms
| 2,2-Dimethylbutanoic acid |
| α, α-Dimethylbutyric acid |
| Butanoic acid, 2,2-dimethyl- |
| butanoic acid, 2,2-dimethyl |
| EINECS 209-865-0 |
| α,α-Dimethylbutanoic acid |
| 2,2-Dimethylbutyric acid |
| MFCD00004200 |
| Butyric acid, 2,2-dimethyl- |
