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135236-72-5

Basic Information
CAS No.: 135236-72-5
Name: Calcium beta-hydroxy-beta-methylbutyrate
Molecular Structure:
Molecular Structure of 135236-72-5 (Calcium beta-hydroxy-beta-methylbutyrate)
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