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| CAS No.: | 76-30-2 |
|---|---|
| Name: | DIHYDROXYTARTARIC ACID |
| Molecular Structure: | |
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| Formula: | C4H6O8 |
| Molecular Weight: | 182.087 |
| Synonyms: | Butanedioicacid, tetrahydroxy- (9CI);Succinic acid, tetrahydroxy- (6CI,7CI,8CI);2,2,3,3-Tetrahydroxybutanedioic acid;Dihydroxytartaric acid;NSC 4647;Tetrahydroxysuccinic acid;butanedioic acid, 2,2,3,3-tetrahydroxy-;Butanedioic acid, tetrahydroxy-; |
| EINECS: | 200-951-3 |
| Density: | 2.462 g/cm3 |
| Melting Point: | ~114-115° with decompn |
| Boiling Point: | 514.2 °C at 760 mmHg |
| Flash Point: | 278.9 °C |
| PSA: | 155.52000 |
| LogP: | -3.48260 |
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Specification
The Butanedioic acid,2,2,3,3-tetrahydroxy-, with the CAS registry number 76-30-2 and EINECS registry number 200-951-3, has the systematic nane of tetrahydroxybutanedioic acid. It is also called 2,2,3,3-tetrahydroxybutanedioic acid. And the molecular formula of the chemical is C4H6O8.
The characteristics of Butanedioic acid,2,2,3,3-tetrahydroxy- are as followings: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.96; (4)ACD/LogD (pH 7.4): -4.96; (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: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 89.52 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 29.78 cm3; (15)Molar Volume: 73.9 cm3; (16)Polarizability: 11.8×10-24cm3; (17)Surface Tension: 243.2 dyne/cm; (18)Density: 2.462 g/cm3; (19)Flash Point: 278.9 °C; (20)Enthalpy of Vaporization: 90.44 kJ/mol; (21)Boiling Point: 514.2 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-12 mmHg at 25°C.
Uses of Butanedioic acid,2,2,3,3-tetrahydroxy-: It is always used as organic intermediates and analytical reagents. And it is also used for determination of sodium, calcium and magnesium, and also for the separation and determination of thorium.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(O)(O)C(O)(O)C(=O)O
(2)InChI: InChI=1/C4H6O8/c5-1(6)3(9,10)4(11,12)2(7)8/h9-12H,(H,5,6)(H,7,8)
(3)InChIKey: XHWHHMNORMIBBB-UHFFFAOYAW