CAS No.5424-20-4,TANNIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5424-20-4
Name:	TANNIC ACID
Article Data:	2

Formula:	C₇₆H₅₂O₄₆
Molecular Weight:	1701.22
Synonyms:	β-D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] (9CI);Chinese gallotannin;Pentadigalloylglucose;
EINECS:	226-562-9
Density:	2.129 g/cm³
Melting Point:	218 °C(lit.)
Boiling Point:	198oC
Flash Point:	198 °C
Safety:	24/25
PSA:	777.98000
LogP:	4.83810

Synthetic route

: 5424-20-4
tannic acid

: 125-70-2
levomethorphan

dextromethorphan tannate: dextromethorphan tannate

Conditions

Conditions	Yield
at 140 - 150℃; for 2h; Neat (no solvent);	97%

: 93-14-1
guaifenesin

: 5424-20-4
tannic acid

: guaifenesin tannate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 4083-64-1
Tosyl isocyanate

: 5424-20-4
tannic acid

: C116H87N5O61S5

Conditions

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

Total:28 Page 1 of 1 1

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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