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638-18-6

Basic Information
CAS No.: 638-18-6
Name: 3-Hydroxyglutaric Acid
Article Data: 21
Molecular Structure:
Molecular Structure of 638-18-6 (3-Hydroxyglutaric Acid)
Formula: C5H8O5
Molecular Weight: 148.116
Synonyms: 3-Hydroxyglutaric acid;b-Hydroxyglutaric acid;2,4-Dideoxypentaric acid;Glutaricacid, 3-hydroxy- (7CI,8CI);
Density: 1.508 g/cm3
Melting Point: 94-96°C
Boiling Point: 364.958 °C at 760 mmHg
Flash Point: 188.705 °C
PSA: 94.83000
LogP: -0.70330
Synthetic route
7250-55-7

dimethyl 3-hydroxypentanedioate

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With potassium hydroxide In methanol for 2h;95%
With potassium hydroxide In methanol
32328-03-3

diethyl 3-hydroxyglutarate

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With sodium hydroxide In methanol; water for 60h; Ambient temperature;84%
With potassium hydroxide In ethanol
542-05-2

acetonedicarboxylic acid

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With sodium amalgam; water; sodium carbonate Reagens 4: Kohlendioxyd;
1724-02-3

glutaconic acid

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With hydrogen sulfide; mercury(II) diacetate
127351-38-6

3-ethoxy-pentenedioic acid diethyl ester

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With sodium amalgam; ethanol
77-92-9

citric acid

A

638-18-6

diethyl 3-hydroxypentanedioate

B

498-24-8

Mesaconic acid

C

499-12-7

1 propene 1,2,3 tricarboxylic acid

D

97-65-4

2-methylenesuccinic acid

E

616-02-4

citraconic acid anhydride

F

2170-03-8

itaconic acid anhydride

Conditions
ConditionsYield
With Sn/Pb solder at 150 - 210℃;
542-05-2

acetonedicarboxylic acid

sodium amalgam

sodium amalgam

638-18-6

diethyl 3-hydroxypentanedioate

β-bromo-glutaric acid

β-bromo-glutaric acid

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With sodium carbonate
1724-02-3

glutaconic acid

1600-27-7

mercury(II) diacetate

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
Behandlung des Reaktionsproduktes mit H2S in alkoh. Loesung;
glutaconacidic barium

glutaconacidic barium

638-18-6

diethyl 3-hydroxypentanedioate

Conditions
ConditionsYield
With barium dihydroxide
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  • 3-Hydroxyglutaric Acid CAS No.638-18-6

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Specification

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 %.

Pentanedioic acid,3-hydroxy- can be prepared by 3-hydroxy-glutaric acid dimethyl ester.

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 %.

Pentanedioic acid,3-hydroxy- can react with acetyl chloride to get 3-acetoxy-pentanedioic acid anhydride.

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