Tea, ext.
-
Identifiers
CAS number
84650-60-2Molecular formula
C22H18O11SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Safety labels
Flammable -
Odor profile
Fragrance Odorless 78.33% Phenolic 43.08% Burnt 25.73% Smoky 19.7% Balsamic 18.16% Spicy 17.19% Savory 16.99% Medicinal 15.75% Vanilla 14.28% Bitter 13.55% Flavor Bitter 92.49% Odorless 33.25% Bland 31.44% Sweet-like 23.85% Cedarleaf 20.46% Eugenol 19.71% Parsley 19.52% Lovage 19.25% Nitrile 19.18% Rotten 18.94% Odor impact est.
Low -
Properties
XLogP3-AA
1.2pKa est.
9.98 (weak base)Molecular weight
458.4 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
1512°CFlash point
- 299.06 ˚C est.
-
Synonyms
- Tea, ext.
- RefChem:891232
- 283-519-7
- 84650-60-2
- 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
- [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
- 107965-88-8
- CHEMBL311663
- 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
- [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate
- 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
- (-)-Gallocatechin 3-O-gallate
- (+)-epigallocatechin gallate
- C22H18O11
- epigallocatechol-3-gallate
- (-)-Epigallocatechingallate
- (-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate
- SCHEMBL161547
- ChEMBL_134784
- Tea CO2 extract (Green type)
- SCHEMBL29389587
- Tea CO2 extract (Keemun type)
- DTXSID00859570
- MSK2314
- Tea CO2 extract (Jasmine type)
- CHEBI:182308
- WMBWREPUVVBILR-UHFFFAOYSA-N
- HMS3393K21
- HMS3426I15
- HMS3651I16
- HMS3751A21
- HMS3868K03
- HMS5080I20
- BBL033816
- BDBM50093882
- MFCD18783001
- STL372995
- Tea CO2 extract (Pai Mu Tan type)
- Tea CO2 extract WONF (Black type)
- AKOS025248011
- CCG-269314
- NCGC00095722-01
- NCGC00095722-04
- DA-78285
- VS-12292
- E80553
- AN-956/21224005
- (?)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate
- (?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate
- (2R,3R)-2-(3,4,5-Trihydroxy-phenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4, 5-trihydroxybenzoate)
- 3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester
- 84650-60-2
-
Applications
Tea, ext. is used as a fragrance ingredient in perfumery and scented household products, as a natural flavoring agent in food processing and beverage formulations, in cosmetics/personal care as an antioxidant-rich extract contributing to skin conditioning and formulation stability, and as a natural colorant or color contributor in certain cosmetic and food applications.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 2.03 methanol 1.37 isopropanol 0.72 water 0.12 ethyl acetate 1.87 n-propanol 1.62 acetone 1.09 n-butanol 0.75 acetonitrile 0.54 DMF 61.28 toluene 0.06 isobutanol 0.38 1,4-dioxane 9.5 methyl acetate 2.23 THF 13.26 2-butanone 2.23 n-pentanol 0.2 sec-butanol 0.96 n-hexane 0.0 ethylene glycol 13.83 NMP 32.7 cyclohexane 0.0 DMSO 78.07 n-butyl acetate 0.33 n-octanol 0.78 chloroform 0.03 n-propyl acetate 0.47 acetic acid 12.38 dichloromethane 0.04 cyclohexanone 1.27 propylene glycol 17.64 isopropyl acetate 0.79 DMAc 72.4 2-ethoxyethanol 76.77 isopentanol 0.37 n-heptane 0.01 ethyl formate 1.56 1,2-dichloroethane 0.07 n-hexanol 0.13 2-methoxyethanol 227.43 isobutyl acetate 0.09 tetrachloromethane 0.01 n-pentyl acetate 0.69 transcutol 36.61 n-heptanol 0.62 ethylbenzene 0.02 MIBK 0.34 2-propoxyethanol 24.04 tert-butanol 0.75 MTBE 0.48 2-butoxyethanol 10.91 propionic acid 4.21 o-xylene 0.06 formic acid 27.07 diethyl ether 0.69 m-xylene 0.05 p-xylene 0.02 chlorobenzene 0.01 dimethyl carbonate 5.28 n-octane 0.01 formamide 44.83 cyclopentanone 4.08 2-pentanone 1.0 anisole 0.47 cyclopentyl methyl ether 1.24 gamma-butyrolactone 11.1 1-methoxy-2-propanol 91.91 pyridine 2.14 3-pentanone 0.78 furfural 10.27 n-dodecane 0.01 diethylene glycol 34.01 diisopropyl ether 0.08 tert-amyl alcohol 0.96 acetylacetone 3.64 n-hexadecane 0.01 acetophenone 0.48 methyl propionate 4.05 isopentyl acetate 0.24 trichloroethylene 0.16 n-nonanol 0.89 cyclohexanol 0.38 benzyl alcohol 0.56 2-ethylhexanol 0.11 isooctanol 0.38 dipropyl ether 0.71 1,2-dichlorobenzene 0.02 ethyl lactate 3.16 propylene carbonate 1.62 n-methylformamide 19.49 2-pentanol 0.36 n-pentane 0.0 1-propoxy-2-propanol 10.99 1-methoxy-2-propyl acetate 4.28 2-(2-methoxypropoxy) propanol 9.02 mesitylene 0.03 ε-caprolactone 3.18 p-cymene 0.03 epichlorohydrin 7.92 1,1,1-trichloroethane 0.02 2-aminoethanol 18.56 morpholine-4-carbaldehyde 73.02 sulfolane 23.36 2,2,4-trimethylpentane 0.0 2-methyltetrahydrofuran 2.15 n-hexyl acetate 1.02 isooctane 0.0 2-(2-butoxyethoxy)ethanol 14.48 sec-butyl acetate 0.25 tert-butyl acetate 1.08 decalin 0.0 glycerin 97.12 diglyme 32.31 acrylic acid 6.84 isopropyl myristate 0.37 n-butyric acid 2.99 acetyl acetate 0.92 di(2-ethylhexyl) phthalate 0.5 ethyl propionate 1.02 nitromethane 30.16 1,2-diethoxyethane 3.71 benzonitrile 0.13 trioctyl phosphate 0.45 1-bromopropane 0.03 gamma-valerolactone 47.64 n-decanol 0.53 triethyl phosphate 0.61 4-methyl-2-pentanol 0.15 propionitrile 0.39 vinylene carbonate 1.44 1,1,2-trichlorotrifluoroethane 19.64 DMS 1.22 cumene 0.01 2-octanol 0.37 2-hexanone 0.28 octyl acetate 0.75 limonene 0.05 1,2-dimethoxyethane 37.58 ethyl orthosilicate 0.57 tributyl phosphate 0.37 diacetone alcohol 6.5 N,N-dimethylaniline 0.34 acrylonitrile 1.1 aniline 0.42 1,3-propanediol 22.95 bromobenzene 0.01 dibromomethane 0.01 1,1,2,2-tetrachloroethane 0.21 2-methyl-cyclohexyl acetate 0.29 tetrabutyl urea 1.04 diisobutyl methanol 0.11 2-phenylethanol 0.35 styrene 0.02 dioctyl adipate 0.96 dimethyl sulfate 11.57 ethyl butyrate 0.74 methyl lactate 19.26 butyl lactate 2.24 diethyl carbonate 0.51 propanediol butyl ether 10.94 triethyl orthoformate 1.22 p-tert-butyltoluene 0.04 methyl 4-tert-butylbenzoate 2.42 morpholine 24.12 tert-butylamine 0.15 n-dodecanol 0.32 dimethoxymethane 38.23 ethylene carbonate 1.07 cyrene 8.54 2-ethoxyethyl acetate 3.22 2-ethylhexyl acetate 0.15 1,2,4-trichlorobenzene 0.05 4-methylpyridine 0.7 dibutyl ether 0.54 2,6-dimethyl-4-heptanol 0.11 DEF 6.37 dimethyl isosorbide 10.15 tetrachloroethylene 0.11 eugenol 2.98 triacetin 2.97 span 80 5.91 1,4-butanediol 3.15 1,1-dichloroethane 0.02 2-methyl-1-pentanol 0.15 methyl formate 10.68 2-methyl-1-butanol 0.49 n-decane 0.02 butyronitrile 0.21 3,7-dimethyl-1-octanol 0.35 1-chlorooctane 0.08 1-chlorotetradecane 0.03 n-nonane 0.02 undecane 0.01 tert-butylcyclohexane 0.0 cyclooctane 0.0 cyclopentanol 0.83 tetrahydropyran 1.14 tert-amyl methyl ether 0.79 2,5,8-trioxanonane 20.66 1-hexene 0.01 2-isopropoxyethanol 13.88 2,2,2-trifluoroethanol 4.98 methyl butyrate 1.12 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
0.037 % |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
0.42 % |
|
Category 2
Products applied to the axillae
|
0.011 % |
Category 7B
Leave-on products applied to the hair with some hand contact
|
0.42 % |
|
Category 3
Products applied to the face/body using fingertips
|
0.22 % |
Category 8
Products with significant anogenital exposure
|
0.022 % |
|
Category 4
Products related to fine fragrance
|
0.21 % |
Category 9
Products with body and hand exposure, primarily rinse off
|
0.4 % |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
0.052 % |
Category 10A
Household care products with mostly hand contact
|
1.4 % |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
0.052 % |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
1.4 % |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
0.052 % |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
0.8 % |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
0.052 % |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
0.8 % |
|
Category 6
Products with oral and lip exposure
|
0.12 % |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |