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| CAS No.: | 135236-72-5 |
|---|---|
| Name: | Calcium beta-hydroxy-beta-methylbutyrate |
| Molecular Structure: | |
 |
|
| Formula: | C10H18CaO6.H2O |
| Molecular Weight: | 274.32 |
| Synonyms: | 3-Hydroxy-3-methyl-butanoate;beta-Hydroxyisovaleric acid calcium salt(HMB calcium);HMB Calcium;HMB-Ca;β-Hydroxy-β-Methyl Butyrate;Calcium HMB;3-Hydroxy-3-methylbutyric acid calcium salt; |
| EINECS: | 681-140-5 |
| Boiling Point: | 242.8 °C at 760 mmHg |
| Flash Point: | 114.9 °C |
| Solubility: | Soluble in water. |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | R11; R22 |
| PSA: | 93.06000 |
| LogP: | 0.30980 |
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Specification
The Calcium beta-hydroxy-beta-methylbutyrate, with the CAS registry number 135236-72-5, is also known as Calcium bis(3-hydroxy-3-methylbutanoate). It belongs to the product categories of Pharmaceutical Raw Materials; Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds; Various Diketene Derivatives; Diketene Derivatives. This chemical's molecular formula is C10H18CaO6·H2O and molecular weight is 292.34. What's more, its IUPAC name is called Calcium 3-hydroxy-3-methylbutanoate. Calcium beta-hydroxy-beta-methylbutyrate, as a dietary supplement, may affect protein synthesis. During resistance training, it has been reported to reduce muscle catabolism, promote fat loss, increase strength and fat-free mass in athletic and nonathletic populations. This chemical should be kept in a cold, dry and ventilated place.
Physical properties about Calcium beta-hydroxy-beta-methylbutyrate are: (1)ACD/LogP: -0.788; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -3.82; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 114.9 °C; (12)Enthalpy of Vaporization: 55.75 kJ/mol; (13)Boiling Point: 242.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00567 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].[O-]C(=O)CC(O)(C)C.[O-]C(=O)CC(O)(C)C
(2) InChI: InChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
(3) InChIKey: WLJUMPWVUPNXMF-UHFFFAOYSA-L