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CAS No.: | 6205-14-7 |
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Name: | Hydroxycitric acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H8O8 |
Molecular Weight: | 208.125 |
Synonyms: | 1,2,3-Propanetricarboxylicacid, 1,2-dihydroxy- (7CI,8CI);Hydroxycitric acid;Regulator;3-C-Carboxy-2-deoxypentaric acid;pentaric acid, 3-C-carboxy-2-deoxy-;1,2-dihydroxypropane-1,2,3-tricarboxylic acid; |
EINECS: | 1312995-182-4 |
Density: | 1.947 g/cm3 |
Boiling Point: | 393.3 °C at 760 mmHg |
Flash Point: | 205.8 °C |
PSA: | 152.36000 |
LogP: | -2.27770 |
hydroxycitric acid
Conditions | Yield |
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With hydrogenchloride In water | 20% |
Multi-step reaction with 2 steps 1: water 2: acid cation resin exchange column / water View Scheme |
Conditions | Yield |
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With hypochloric acid anschliessend Behandeln des Reaktionsprodukts mit Kalkmilch; |
Conditions | Yield |
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Erwaermen mit Kalkmilch; |
hydroxycitric acid
Conditions | Yield |
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With hypochloric acid (+-)-allo-hydroxycitric acid; | |
With hypochloric acid (+-)-hydroxycitric acid; |
hydroxycitric acid
Conditions | Yield |
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With nitric acid at 35℃; |
hydroxycitric acid
Conditions | Yield |
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With acid cation resin exchange column In water |
Conditions | Yield |
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Stage #1: magnesium hydroxide; hydroxycitric acid In water at 60℃; for 1h; Stage #2: potassium hydroxide In water pH=9; Temperature; | 86.2% |
Conditions | Yield |
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With pyridine; sodium chloride In methanol; water |
hydroxycitric acid
zinc(II) carbonate
Conditions | Yield |
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Stage #1: hydroxycitric acid; zinc(II) carbonate In water at 70 - 80℃; for 0.5h; Stage #2: calcium hydroxide In water at 70 - 80℃; for 4h; |
hydroxycitric acid
zinc(II) carbonate
Conditions | Yield |
---|---|
Stage #1: hydroxycitric acid; magnesium carbonate In water for 0.5h; Stage #2: zinc(II) carbonate In water at 70 - 80℃; for 4h; |
The Hydroxycitric acid, with the CAS registry number 6205-14-7, has the systematic name of 3-C-carboxy-2-deoxypentaric acid. It belongs to the product category of Miscellaneous Natural Products. And the molecular formula of the chemical is C6H8O8.
The characteristics of Hydroxycitric acid are as followings: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.7; (4)ACD/LogD (pH 7.4): -7.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 97.36 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 37.53 cm3; (15)Molar Volume: 106.8 cm3; (16)Polarizability: 14.87×10-24cm3; (17)Surface Tension: 131.8 dyne/cm; (18)Density: 1.947 g/cm3; (19)Flash Point: 205.8 °C; (20)Enthalpy of Vaporization: 74.36 kJ/mol; (21)Boiling Point: 393.3 °C at 760 mmHg; (22)Vapour Pressure: 8.17E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(O)C(O)(C(=O)O)CC(=O)O
(2)InChI: InChI=1/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
(3)InChIKey: ZMJBYMUCKBYSCP-UHFFFAOYAQ