Tannin supplier | CasNO.5424-20-4

Name
TANNIC ACID
EINECS 226-562-9
CAS No. 5424-20-4
Article Data2
CAS DataBase
Density 2.129 g/cm³
Solubility
Melting Point 218 °C(lit.)
Formula C₇₆H₅₂O₄₆
Boiling Point 198oC
Molecular Weight 1701.22
Flash Point 198 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms β-D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] (9CI);Chinese gallotannin;Pentadigalloylglucose;
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;

: C17H25N5O3

: C17H25N5O3

: 5424-20-4
tannic acid

: C110H102N10O52

Conditions

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

...Expand

: 30674-80-7
2-Isocyanatoethyl methacrylate

: 5424-20-4
tannic acid

: C146H142N10O76

Conditions

Conditions	Yield
With dibutyltin dilaurate In dioxolane, 1,3- at 50℃; for 30h; Inert atmosphere;

: N-methoxymethyl-(1-methyl-2-(2-chloroethyl)amino)-ethylamide

: 5424-20-4
tannic acid

: C156H212N20O66

Conditions

Conditions	Yield
Stage #1: tannic acid With sodium hydride In N,N-dimethyl acetamide for 3h; Inert atmosphere; Stage #2: N-methoxymethyl-(1-methyl-2-(2-chloroethyl)amino)-ethylamide In N,N-dimethyl acetamide at 50℃; for 10h; Inert atmosphere;

: 71-23-8
propan-1-ol

: 5424-20-4
tannic acid

: 121-79-9
Propyl gallate

Conditions

Conditions	Yield
With bio-imprinted tannase immobilized on ceolite In hexane; water at 40℃; for 24h; Enzymatic reaction;
With tannase from Aspergillus oryzae In hexane; water at 40℃; Kinetics; Microbiological reaction; Enzymatic reaction;
Stage #1: tannic acid With Aspergillus oryzae tannase at 20℃; for 0.0833333h; pH=6.0; Stage #2: propan-1-ol With D-Mannose; magnesium sulfate In hexane at 40℃; for 24h; Catalytic behavior; Reagent/catalyst; Enzymatic reaction;
With immobilized tannase In hexane; water at 40℃; for 24h; Solvent;

: 5424-20-4
tannic acid

: 149-91-7
3,4,5-trihydroxybenzoic acid

Conditions

Conditions	Yield
With recombinant Tan410 In aq. phosphate buffer at 35℃; for 0.75h; pH=7; Enzymatic reaction;
With ammonium nitrate; dipotassium hydrogenphosphate; potassium dihydrogenphosphate; magnesium sulfate In water at 35℃; for 39h; Microbiological reaction;

: 150-13-0
4-amino-benzoic acid

: 5424-20-4
tannic acid

: C160H112N12O58

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 120℃; for 24h; Inert atmosphere;

: 5424-20-4
tannic acid

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With sodium hydroxide at 85 - 90℃; for 1h; Concentration; Temperature; Sonication;	1.8 g

: 3674-07-5
dodecyl bromoacetate

: 5424-20-4
tannic acid

: C90H75O48(3-)*3K(1+)

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 25℃; for 5h;

: 5424-20-4
tannic acid

: 125-70-2
levomethorphan

dextromethorphan tannate: dextromethorphan tannate

Conditions

Conditions	Yield
In water at 90℃;

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

Product Name

TANNIC ACID

Synthetic route

Tannin Specification

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