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Name |
3-Hydroxypentanedioic acid |
EINECS | N/A |
CAS No. | 638-18-6 | Density | 1.508 g/cm3 |
PSA | 94.83000 | LogP | -0.70330 |
Solubility | N/A | Melting Point |
94-96°C |
Formula | C5H8O5 | Boiling Point | 364.958 °C at 760 mmHg |
Molecular Weight | 148.116 | Flash Point | 188.705 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hydroxyglutaric acid;b-Hydroxyglutaric acid;2,4-Dideoxypentaric acid;Glutaricacid, 3-hydroxy- (7CI,8CI); |
Article Data | 21 |
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 2h; | 95% |
With potassium hydroxide In methanol |
diethyl 3-hydroxyglutarate
diethyl 3-hydroxypentanedioate
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water for 60h; Ambient temperature; | 84% |
With potassium hydroxide In ethanol |
Conditions | Yield |
---|---|
With sodium amalgam; water; sodium carbonate Reagens 4: Kohlendioxyd; |
Conditions | Yield |
---|---|
With hydrogen sulfide; mercury(II) diacetate |
3-ethoxy-pentenedioic acid diethyl ester
diethyl 3-hydroxypentanedioate
Conditions | Yield |
---|---|
With sodium amalgam; ethanol |
citric acid
A
diethyl 3-hydroxypentanedioate
B
Mesaconic acid
C
1 propene 1,2,3 tricarboxylic acid
D
2-methylenesuccinic acid
E
citraconic acid anhydride
F
itaconic acid anhydride
Conditions | Yield |
---|---|
With Sn/Pb solder at 150 - 210℃; |
diethyl 3-hydroxypentanedioate
Conditions | Yield |
---|---|
With sodium carbonate |
glutaconic acid
mercury(II) diacetate
water
diethyl 3-hydroxypentanedioate
Conditions | Yield |
---|---|
Behandlung des Reaktionsproduktes mit H2S in alkoh. Loesung; |
diethyl 3-hydroxypentanedioate
Conditions | Yield |
---|---|
With barium dihydroxide |
The Pentanedioic acid,3-hydroxy-, with the CAS registry number 638-18-6, is also known as 2,4-Dideoxypentaric acid. It belongs to the product category of Aliphatics. This chemical's molecular formula is C5H8O5 and molecular weight is 148.04. What's more, both its IUPAC name and systematic name are the same which is called 3-Hydroxypentanedioic acid.
Physical properties about Pentanedioic acid,3-hydroxy- are: (1)ACD/LogP: -1.422; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.88; (4)ACD/LogD (pH 7.4): -6.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 94.83 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 29.836 cm3; (15)Molar Volume: 98.203 cm3; (16)Polarizability: 11.828×10-24cm3; (17)Surface Tension: 74.778 dyne/cm; (18)Density: 1.508 g/cm3; (19)Flash Point: 188.705 °C; (20)Enthalpy of Vaporization: 70.737 kJ/mol; (21)Boiling Point: 364.958 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Pentanedioic acid,3-hydroxy-: this chemical can be prepared by 3-hydroxy-glutaric acid dimethyl ester. This reaction needs reagent KOH and solvent methanol. The reaction time is 2 hours. The yield is 95 %.
Uses of Pentanedioic acid,3-hydroxy-: it is used to produce other chemicals. For example, it can react with acetyl chloride to get 3-acetoxy-pentanedioic acid anhydride. The yield is 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(O)CC(=O)O
(2) InChI: InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
(3) InChIKey: ZQHYXNSQOIDNTL-UHFFFAOYSA-N