CAS Number4026-18-0
SynonymsD-Valic acid; D-2-HYDROXY-3-METHYLBUTYRIC ACID; A-hydroxyisovaleric acid; DL-2-Hydroxyisovaleric acid; 2-HYDROXY-3-METHYLBU; α-hydroxyisovaleric acid; MFCD00004242; Einecs 223-697-5; UNII:02X1W97FWN; DL-a-hydroxyisovaleric acid; L-2-hydroxyisovaleric acid; 2-hydroxy-3-methyl-Butyric acid; 2-Oxyisovaleric Acid; 2-Hydroxy-3-methylbutanoic acid; DL-2-Hydroxy-3-methylbutanoic acid; 2-Hydroxy-3-methylbutyric acid; 3-Methyl-2-hydroxybutyric acid; 2-Hydroxy-3-methylbutyricAcid; 2-Hydroxyisopentanoic acid; 2-hydroxy-3-Methyl; (2S)-2-Hydroxy-3-methylbutanoic acid; 2-hydroxyisovaleric acid; DL-α-hydroxyisovaleric acid; D-a-Hydroxyisovaleric acid; 2-hydroxy-3-methyl butyric acid
Molecular Formula(CH3)2CHCH(OH)CO2H
Molecular Weight118.13
Purity99%
Density1.1±0.1 g/cm3
Boiling Point237.6±13.0 °C at 760 mmHg
Melting Point86-87 °C (lit.)
Appearancesolid
EINECS223-697-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4026-18-0 |
| Catalog No. | 2A-9081618 |
| Chinese Name | 2-羟基-3-甲基丁酸 |
| Synonyms | D-Valic acid; D-2-HYDROXY-3-METHYLBUTYRIC ACID; A-hydroxyisovaleric acid; DL-2-Hydroxyisovaleric acid; 2-HYDROXY-3-METHYLBU; α-hydroxyisovaleric acid; MFCD00004242; Einecs 223-697-5; UNII:02X1W97FWN; DL-a-hydroxyisovaleric acid; L-2-hydroxyisovaleric acid; 2-hydroxy-3-methyl-Butyric acid; 2-Oxyisovaleric Acid; 2-Hydroxy-3-methylbutanoic acid; DL-2-Hydroxy-3-methylbutanoic acid; 2-Hydroxy-3-methylbutyric acid; 3-Methyl-2-hydroxybutyric acid; 2-Hydroxy-3-methylbutyricAcid; 2-Hydroxyisopentanoic acid; 2-hydroxy-3-Methyl; (2S)-2-Hydroxy-3-methylbutanoic acid; 2-hydroxyisovaleric acid; DL-α-hydroxyisovaleric acid; D-a-Hydroxyisovaleric acid; 2-hydroxy-3-methyl butyric acid |
| Molecular Formula | (CH3)2CHCH(OH)CO2H |
| Molecular Weight | 118.13 |
| Purity | 99 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 237.6±13.0 °C at 760 mmHg |
| Melting Point | 86-87 °C (lit.) |
| Appearance | solid |
| Storage Condition | room temperature |
| Application | 2-Hydroxy-3-methylbutanoic is a structural analog of GHB, a natural substance found in the central nervous system and a neurological drug. |
| EINECS | 223-697-5 |
| HTC | 2918199090 |
| PubChem ID | 24853147 |
| MDL Number | MFCD00004242 |
| SMILES | CC(C)C(O)C(O)=O |
| InChI | 1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8) |
| InChI Key | NGEWQZIDQIYUNV-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/81618_1_4026_18_0.pdf |
| Bioactivity | 2-Hydroxy-3-methylbutanoic acid is a close structure analogue of GHB, which is a naturally occurring neurotransmitter and a psychoactive drug. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Neurological Disease Target Human Endogenous Metabolite References [1]. Pan YM, et al. Improved procedure for the analysis of gamma-hydroxybutyrate and ethylene glycol in whole blood. J Anal Toxicol. 2001 Jul-Aug;25(5):328-32. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 237.6±13.0 °C at 760 mmHg Melting Point 86-87ºC(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 1.455 InChIKey NGEWQZIDQIYUNV-UHFFFAOYSA-N SMILES CC(C)C(O)C(=O)O |
| Use of | Properties Articles30 Name 2-hydroxy-3-methylbutyric acid Synonym More Synonyms 2-Hydroxy-3-methylbutyric acid Biological Activity Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Neurological Disease Human Endogenous Metabolite References [1]. Pan YM, et al. Improved procedure for the analysis of gamma-hydroxybutyrate and ethylene glycol in whole blood. J Anal Toxicol. 2001 Jul-Aug;25(5):328-32. Chemical & Physical Properties Molecular Formula C5H10O3 Exact Mass 118.062996 PSA 57.53000 Index of Refraction 1.455 InChIKey NGEWQZIDQIYUNV-UHFFFAOYSA-N SMILES CC(C)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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