1,2,3,4,6-pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]beta-D-glucopyranose
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Identifiers
Molecular formula
C76H52O46SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O
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Odor profile
Fragrance Odorless 80.85% Phenolic 26.13% Balsamic 22.81% Burnt 19.62% Savory 14.61% Clean 13.83% Milky 13.66% Bitter 11.79% Vanilla 11.79% Smoky 11.72% Flavor Bitter 89.28% Odorless 43.33% Bland 38.08% Sweet-like 23.92% Very mild 22.42% Mild 20.44% Cedarleaf 19.38% Parsley 18.99% Nitrile 18.78% Eugenol 18.76% Odor impact est.
Low -
Properties
XLogP3-AA
6.2pKa est.
6.03 (neutral)Molecular weight
1701.2 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
5386°CFlash point
- 184.93 ˚C est.
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Synonyms
- Gallotannin
- Glycerite
- 1,2,3,4,6-pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]beta-D-glucopyranose
- Tannic Acid, A
- Tannic acid (TN)
- NSC656273
- NSC-656273
- Tannic acid (JP17/USP)
- SCHEMBL743760
- BDBM92479
- NSC5031
- NSC-5031
- AKOS015896274
- NCGC00187589-01
- NCGC00187589-02
- NS00014144
- D01959
- D-Glucopyranose,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]
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Applications
1,2,3,4,6-pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]beta-D-glucopyranose is a polyphenolic, multi-galloylated sugar ester with notable antioxidant potential. In practical applications, it may be used as an antioxidant and stabilizer in cosmetics and personal care formulations to protect sensitive ingredients from oxidative degradation. It can also be explored as a functional additive for polymers and coatings, contributing radical-scavenging activity and potentially enhancing color and aging stability in films and inks. In household products and cleaning formulations, it could serve as a stabilizer or co-additive to improve formulation longevity and resistance to oxidative processes. When used, formulation should comply with applicable regulations and limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1.78 methanol 2.18 isopropanol 1.25 water 0.12 ethyl acetate 1.7 n-propanol 1.6 acetone 2.8 n-butanol 0.72 acetonitrile 0.86 DMF 52.79 toluene 0.35 isobutanol 0.58 1,4-dioxane 10.78 methyl acetate 3.76 THF 22.63 2-butanone 2.99 n-pentanol 0.42 sec-butanol 1.19 n-hexane 0.02 ethylene glycol 4.59 NMP 42.21 cyclohexane 0.03 DMSO 37.6 n-butyl acetate 0.5 n-octanol 0.75 chloroform 0.82 n-propyl acetate 0.7 acetic acid 7.3 dichloromethane 0.87 cyclohexanone 1.86 propylene glycol 6.7 isopropyl acetate 0.99 DMAc 50.05 2-ethoxyethanol 11.83 isopentanol 0.33 n-heptane 0.04 ethyl formate 1.31 1,2-dichloroethane 0.6 n-hexanol 0.2 2-methoxyethanol 28.65 isobutyl acetate 0.19 tetrachloromethane 0.09 n-pentyl acetate 1.07 transcutol 19.85 n-heptanol 0.57 ethylbenzene 0.11 MIBK 0.47 2-propoxyethanol 6.9 tert-butanol 0.98 MTBE 1.19 2-butoxyethanol 5.81 propionic acid 3.56 o-xylene 0.25 formic acid 8.7 diethyl ether 1.34 m-xylene 0.17 p-xylene 0.1 chlorobenzene 0.11 dimethyl carbonate 5.79 n-octane 0.03 formamide 13.9 cyclopentanone 7.07 2-pentanone 1.41 anisole 1.04 cyclopentyl methyl ether 3.14 gamma-butyrolactone 13.43 1-methoxy-2-propanol 20.52 pyridine 4.43 3-pentanone 1.38 furfural 9.03 n-dodecane 0.02 diethylene glycol 7.62 diisopropyl ether 0.21 tert-amyl alcohol 1.11 acetylacetone 3.47 n-hexadecane 0.03 acetophenone 0.86 methyl propionate 4.13 isopentyl acetate 0.29 trichloroethylene 1.68 n-nonanol 0.79 cyclohexanol 0.61 benzyl alcohol 0.86 2-ethylhexanol 0.13 isooctanol 0.35 dipropyl ether 1.01 1,2-dichlorobenzene 0.11 ethyl lactate 1.93 propylene carbonate 2.1 n-methylformamide 12.81 2-pentanol 0.5 n-pentane 0.03 1-propoxy-2-propanol 5.25 1-methoxy-2-propyl acetate 2.83 2-(2-methoxypropoxy) propanol 5.08 mesitylene 0.08 ε-caprolactone 3.05 p-cymene 0.08 epichlorohydrin 9.32 1,1,1-trichloroethane 0.23 2-aminoethanol 5.44 morpholine-4-carbaldehyde 51.55 sulfolane 22.1 2,2,4-trimethylpentane 0.02 2-methyltetrahydrofuran 4.3 n-hexyl acetate 1.18 isooctane 0.01 2-(2-butoxyethoxy)ethanol 7.63 sec-butyl acetate 0.4 tert-butyl acetate 1.12 decalin 0.01 glycerin 22.91 diglyme 19.01 acrylic acid 5.31 isopropyl myristate 0.38 n-butyric acid 1.69 acetyl acetate 1.05 di(2-ethylhexyl) phthalate 0.33 ethyl propionate 1.06 nitromethane 17.8 1,2-diethoxyethane 2.95 benzonitrile 0.31 trioctyl phosphate 0.33 1-bromopropane 0.23 gamma-valerolactone 25.96 n-decanol 0.49 triethyl phosphate 0.52 4-methyl-2-pentanol 0.18 propionitrile 0.65 vinylene carbonate 2.01 1,1,2-trichlorotrifluoroethane 15.89 DMS 1.81 cumene 0.05 2-octanol 0.47 2-hexanone 0.6 octyl acetate 0.7 limonene 0.12 1,2-dimethoxyethane 13.65 ethyl orthosilicate 0.54 tributyl phosphate 0.26 diacetone alcohol 3.3 N,N-dimethylaniline 0.9 acrylonitrile 1.52 aniline 0.96 1,3-propanediol 5.17 bromobenzene 0.09 dibromomethane 0.32 1,1,2,2-tetrachloroethane 1.56 2-methyl-cyclohexyl acetate 0.28 tetrabutyl urea 0.8 diisobutyl methanol 0.11 2-phenylethanol 0.42 styrene 0.13 dioctyl adipate 0.69 dimethyl sulfate 15.44 ethyl butyrate 0.63 methyl lactate 9.06 butyl lactate 1.93 diethyl carbonate 0.45 propanediol butyl ether 6.58 triethyl orthoformate 1.12 p-tert-butyltoluene 0.1 methyl 4-tert-butylbenzoate 2.2 morpholine 17.62 tert-butylamine 0.32 n-dodecanol 0.31 dimethoxymethane 22.94 ethylene carbonate 1.31 cyrene 5.58 2-ethoxyethyl acetate 3.03 2-ethylhexyl acetate 0.23 1,2,4-trichlorobenzene 0.26 4-methylpyridine 1.94 dibutyl ether 0.74 2,6-dimethyl-4-heptanol 0.11 DEF 5.25 dimethyl isosorbide 6.06 tetrachloroethylene 0.78 eugenol 2.0 triacetin 3.19 span 80 4.43 1,4-butanediol 1.57 1,1-dichloroethane 0.34 2-methyl-1-pentanol 0.2 methyl formate 8.49 2-methyl-1-butanol 0.46 n-decane 0.06 butyronitrile 0.37 3,7-dimethyl-1-octanol 0.27 1-chlorooctane 0.17 1-chlorotetradecane 0.06 n-nonane 0.05 undecane 0.04 tert-butylcyclohexane 0.01 cyclooctane 0.02 cyclopentanol 1.63 tetrahydropyran 2.61 tert-amyl methyl ether 1.37 2,5,8-trioxanonane 11.43 1-hexene 0.06 2-isopropoxyethanol 4.49 2,2,2-trifluoroethanol 4.05 methyl butyrate 1.14 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |