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Tannin

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Name

Tannin

EINECS 226-562-9
CAS No. 5424-20-4 Density 2.129 g/cm3
PSA 777.98000 LogP 4.83810
Solubility N/A Melting Point 218 °C(lit.)
Formula C76H52O46 Boiling Point 198oC
Molecular Weight 1701.22 Flash Point 198 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5424-20-4 (TANNIC ACID) Hazard Symbols N/A
Synonyms

β-D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] (9CI);Chinese gallotannin;Pentadigalloylglucose;

Article Data 2

Tannin Synthetic route

5424-20-4

tannic acid

125-70-2

levomethorphan

dextromethorphan tannate

dextromethorphan tannate

Conditions
ConditionsYield
at 140 - 150℃; for 2h; Neat (no solvent);97%
93-14-1

guaifenesin

5424-20-4

tannic acid

guaifenesin tannate

Conditions
ConditionsYield
In water at 35 - 50℃; for 1h; Product distribution / selectivity;96.15%
5424-20-4

tannic acid

125-70-2

levomethorphan

dextromethorphan tannate

dextromethorphan tannate

Conditions
ConditionsYield
Stage #1: tannic acid In water at 85 - 100℃; for 0.166667h;
Stage #2: levomethorphan In water at 85 - 100℃; for 1.25h;
95.6%
glatiramer acetate

glatiramer acetate

5424-20-4

tannic acid

glatiramer tannate

glatiramer tannate

Conditions
ConditionsYield
In hexane for 2h; Product distribution / selectivity;90%
In methanol for 0.25h; Product distribution / selectivity;76%
With sodium chloride In water for 0.166667 - 2.25h; pH=3.2 - 5.5; Product distribution / selectivity;70%
In water pH=3.2 - 5.5; Product distribution / selectivity;
5424-20-4

tannic acid

71-00-1

D,L-histidine

C76H52O46*5C6H9N3O2

Conditions
ConditionsYield
In water at 60℃; for 5h; pH=6; Temperature;86.35%
5424-20-4

tannic acid

125-70-2

levomethorphan

D-M Tannate synthesized by IPA route

D-M Tannate synthesized by IPA route

Conditions
ConditionsYield
Stage #1: tannic acid In isopropyl alcohol at 40 - 45℃; for 1h;
Stage #2: levomethorphan In isopropyl alcohol at 45 - 50℃; for 1h;
83.6%
1943-83-5

2-chloroethyl isothiocyanate

5424-20-4

tannic acid

C103H88Cl9N9O55

Conditions
ConditionsYield
With dibutyltin dilaurate In dioxolane, 1,3- at 50℃; for 10h; Inert atmosphere;
1943-83-5

2-chloroethyl isothiocyanate

5424-20-4

tannic acid

C79H56ClNO47

Conditions
ConditionsYield
With dibutyltin dilaurate In dioxolane, 1,3- at 60℃; for 5h; Inert atmosphere;
30674-80-7

2-Isocyanatoethyl methacrylate

40465-45-0

p-cyanophenyl isocyanate

5424-20-4

tannic acid

C151H117N15O66

Conditions
ConditionsYield
With dibutyltin dilaurate In dioxolane, 1,3- at 50℃; for 10h; Inert atmosphere;
4083-64-1

Tosyl isocyanate

5424-20-4

tannic acid

C116H87N5O61S5

Conditions
ConditionsYield
With dibutyltin dilaurate In dioxolane, 1,3- at 50℃; Inert atmosphere;

Tannin Specification

The Tannin, with the CAS registry number 5424-20-4, is also known as Pentadigalloylglucose. Its EINECS number is 226-562-9. This chemical's molecular formula is C76H52O46 and molecular weight is 1701.20. What's more, its systematic name is beta-D-Glucose pentakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate). When using it, you must avoid contact with skin and eyes. This chemical is an important ingredient in the process of tanning leather. It can be used for production of anti-corrosive.

Physical properties of Tannin are: (1)ACD/LogP: 6.184; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 20704.44; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 38667.75; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 46; (10)#H bond donors: 25; (11)#Freely Rotating Bonds: 56; (12)Polar Surface Area: 777.98 Å2; (13)Index of Refraction: 1.927; (14)Molar Refractivity: 379.61 cm3; (15)Molar Volume: 799.078 cm3; (16)Polarizability: 150.489×10-24cm3; (17)Surface Tension: 203.1 dyne/cm; (18)Density: 2.129 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]7O[C@@H]([C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c1cc(O)c(O)c(O)c1)c2)[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c4)[C@H]7OC(=O)c6cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c6)COC(=O)c9cc(O)c(O)c(OC(=O)c8cc(O)c(O)c(O)c8)c9)c%11cc(O)c(O)c(OC(=O)c%10cc(O)c(O)c(O)c%10)c%11
(2)Std. InChI: InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
(3)Std. InChIKey: LRBQNJMCXXYXIU-PPKXGCFTSA-N

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