CAS Number3739-30-8
Synonyms2-hydroxy-2-methyl-butyric acid; 2-Hydroxy-2-methyl-n-butyric acid; 2-Hydroxy-2-methylbutyric acid; EINECS 223-120-7; 2-Hydroxy-2-methylbutanoic acid; 2-hydroxy-2-methyl-butanoic acid; MFCD00004476
Molecular FormulaC5H10O3
Molecular Weight118.13
Purity≥97 (GC)%
Density1.1±0.1 g/cm3
Boiling Point237.6±13.0 °C at 760 mmHg
Melting Point73-75 °C(lit.)
AppearanceWhite crystalline powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3739-30-8 |
| Catalog No. | 2A-9030142 |
| Chinese Name | 2-羟基-2-甲基丁酸 |
| Synonyms | 2-hydroxy-2-methyl-butyric acid; 2-Hydroxy-2-methyl-n-butyric acid; 2-Hydroxy-2-methylbutyric acid; EINECS 223-120-7; 2-Hydroxy-2-methylbutanoic acid; 2-hydroxy-2-methyl-butanoic acid; MFCD00004476 |
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.13 |
| Purity | ≥97 (GC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 237.6±13.0 °C at 760 mmHg |
| Melting Point | 73-75 °C(lit.) |
| Appearance | White crystalline powder |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | 2-Hydroxy-2-methylbutanoic acid is an abnormal metabolite associated with hydroxyglutaric aciduria and maple syndrome. |
| HTC | 2918199090 |
| MDL Number | MFCD13185890 |
| SMILES | OC(C(C)C(C)O)=O |
| InChI | 1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8) |
| InChI Key | VEXDRERIMPLZLU-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 12352106 |
| Hazard Symbols | transportation |
| MSDS | msds/30142_1_3739_30_8.pdf |
| Bioactivity | 2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Target Human Endogenous Metabolite References [1]. Dekant W, et al. Biotransformation of MTBE, ETBE, and TAME after inhalation or ingestion in rats and humans. Res Rep Health Eff Inst. 2001 May;(102):29-71; discussion 95-109. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 237.6±13.0 °C at 760 mmHg Melting Point 73-75 °C(lit.) Molecular Formula C5H10O3 Molecular Weight 118.131 Flash Point 111.8±16.3 °C Exact Mass 118.062996 PSA 57.53000 LogP 0.18 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.460 InChIKey MBIQENSCDNJOIY-UHFFFAOYSA-N SMILES CCC(C)(O)C(=O)O |
| Use of | 2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease. Properties Name 2-hydroxy-2-methylbutyric acid Synonym More Synonyms 2-Hydroxy-2-methylbutyric acid Biological Activity Description 2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Human Endogenous Metabolite References [1]. Dekant W, et al. Biotransformation of MTBE, ETBE, and TAME after inhalation or ingestion in rats and humans. Res Rep Health Eff Inst. 2001 May;(102):29-71; discussion 95-109. Chemical & Physical Properties Molecular Formula C5H10O3 Exact Mass 118.062996 PSA 57.53000 Index of Refraction 1.460 InChIKey MBIQENSCDNJOIY-UHFFFAOYSA-N SMILES CCC(C)(O)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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