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Butanedioic acid,2,2,3,3-tetrahydroxy-

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Name

Butanedioic acid,2,2,3,3-tetrahydroxy-

EINECS 200-951-3
CAS No. 76-30-2 Density 2.462 g/cm3
PSA 155.52000 LogP -3.48260
Solubility N/A Melting Point ~114-115° with decompn
Formula C4H6O8 Boiling Point 514.2 °C at 760 mmHg
Molecular Weight 182.087 Flash Point 278.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76-30-2 (DIHYDROXYTARTARIC ACID) Hazard Symbols N/A
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-;

 

Butanedioic acid,2,2,3,3-tetrahydroxy- 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

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