Cinnamtannin D2

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  • Identifiers

    CAS number
    97233-47-1

    Molecular formula
    C60H48O24

    SMILES
    C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=C(C(=CC(=C67)O)O)[C@@H]8[C@H]([C@H](OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.54%
    Phenolic 47.45%
    Burnt 28.62%
    Smoky 24.79%
    Spicy 21.16%
    Vanilla 20.99%
    Medicinal 19.2%
    Savory 19.09%
    Balsamic 17.91%
    Bitter 15.07%

     

    Flavor
    Bitter 93.44%
    Bland 27.63%
    Odorless 25.11%
    Sweet-like 23.07%
    Cedarleaf 19.58%
    Parsley 18.34%
    Very strong 18.19%
    Lovage 18.18%
    Rotten 18.08%
    Indole 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.54 (weak base)

    Molecular weight
    1153.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    4794°C

    Flash point

    • 292.9 ˚C est.

  • Synonyms

    • Cinnamtannin D2
    • Epicatechin(4b->8)epicatechin(2b->7,4b->8)epicatechin(4b->8)catechin
    • (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol
    • (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-((2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)-7-((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl)-4,12,14-trioxapentacyclo(11.7.1.0^(2,11).0^(3,8).0^(15,20))henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol
    • (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-16-((2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl)-4,12,14-trioxapentacyclo(11.7.1.02,11.03,8.015,20)henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
    • (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
    • RefChem:126266
    • 97233-47-1
    • orb1942050
    • CHEBI:81231
    • HY-N12220
    • DA-51916
    • CS-0895630
    • C17633
    • Q27155172
    • 97233-47-1

  • Applications

    Cinnamtannin D2 (CAS 97233-47-1) is a natural proanthocyanidin dimer belonging to the condensed tannins. In industrial and product development contexts, potential applications include: leather processing (tanning and surface treatment, providing tannin-like stabilization and conditioning); polymers and adhesives (as a polyphenol-rich additive, contributing to crosslinking, binding, or stabilization of resins and adhesives); coatings, paints, and inks (explored as a natural colorant and color stabilizer for coatings and printing formulations); cosmetics and personal care (employed as a natural antioxidant and stabilizing additive in skin care and cosmetic formulations); household and cleaning products (used as a polyphenol-based antioxidant/color additive in formulations). Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.18
    methanol 6.36
    isopropanol 0.37
    water 0.07
    ethyl acetate 1.34
    n-propanol 1.12
    acetone 0.76
    n-butanol 0.66
    acetonitrile 0.38
    DMF 55.22
    toluene 0.1
    isobutanol 0.32
    1,4-dioxane 5.22
    methyl acetate 1.71
    THF 9.62
    2-butanone 1.43
    n-pentanol 0.23
    sec-butanol 0.43
    n-hexane 0.0
    ethylene glycol 6.95
    NMP 43.73
    cyclohexane 0.0
    DMSO 22.86
    n-butyl acetate 0.59
    n-octanol 0.38
    chloroform 0.42
    n-propyl acetate 0.57
    acetic acid 12.11
    dichloromethane 0.48
    cyclohexanone 1.49
    propylene glycol 9.27
    isopropyl acetate 0.62
    DMAc 41.31
    2-ethoxyethanol 13.55
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 2.65
    1,2-dichloroethane 0.31
    n-hexanol 0.16
    2-methoxyethanol 56.59
    isobutyl acetate 0.16
    tetrachloromethane 0.04
    n-pentyl acetate 0.84
    transcutol 18.95
    n-heptanol 0.41
    ethylbenzene 0.03
    MIBK 0.31
    2-propoxyethanol 11.23
    tert-butanol 0.22
    MTBE 0.19
    2-butoxyethanol 7.72
    propionic acid 3.91
    o-xylene 0.07
    formic acid 32.7
    diethyl ether 0.41
    m-xylene 0.06
    p-xylene 0.02
    chlorobenzene 0.07
    dimethyl carbonate 6.16
    n-octane 0.01
    formamide 26.85
    cyclopentanone 4.89
    2-pentanone 0.93
    anisole 0.43
    cyclopentyl methyl ether 1.21
    gamma-butyrolactone 13.73
    1-methoxy-2-propanol 28.07
    pyridine 2.47
    3-pentanone 0.72
    furfural 16.45
    n-dodecane 0.0
    diethylene glycol 18.16
    diisopropyl ether 0.05
    tert-amyl alcohol 0.3
    acetylacetone 2.68
    n-hexadecane 0.01
    acetophenone 0.57
    methyl propionate 3.31
    isopentyl acetate 0.36
    trichloroethylene 1.05
    n-nonanol 0.42
    cyclohexanol 0.29
    benzyl alcohol 0.6
    2-ethylhexanol 0.11
    isooctanol 0.23
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.09
    ethyl lactate 3.26
    propylene carbonate 3.93
    n-methylformamide 21.72
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 6.6
    1-methoxy-2-propyl acetate 4.44
    2-(2-methoxypropoxy) propanol 5.81
    mesitylene 0.03
    ε-caprolactone 3.69
    p-cymene 0.04
    epichlorohydrin 8.75
    1,1,1-trichloroethane 0.08
    2-aminoethanol 8.08
    morpholine-4-carbaldehyde 62.82
    sulfolane 26.11
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.41
    n-hexyl acetate 0.86
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.95
    sec-butyl acetate 0.26
    tert-butyl acetate 0.62
    decalin 0.0
    glycerin 48.78
    diglyme 20.12
    acrylic acid 8.24
    isopropyl myristate 0.23
    n-butyric acid 3.45
    acetyl acetate 1.05
    di(2-ethylhexyl) phthalate 0.46
    ethyl propionate 0.91
    nitromethane 22.46
    1,2-diethoxyethane 1.72
    benzonitrile 0.25
    trioctyl phosphate 0.37
    1-bromopropane 0.09
    gamma-valerolactone 40.59
    n-decanol 0.24
    triethyl phosphate 0.62
    4-methyl-2-pentanol 0.1
    propionitrile 0.45
    vinylene carbonate 4.81
    1,1,2-trichlorotrifluoroethane 29.92
    DMS 1.67
    cumene 0.02
    2-octanol 0.21
    2-hexanone 0.3
    octyl acetate 0.5
    limonene 0.06
    1,2-dimethoxyethane 13.21
    ethyl orthosilicate 0.53
    tributyl phosphate 0.35
    diacetone alcohol 2.87
    N,N-dimethylaniline 0.35
    acrylonitrile 1.38
    aniline 0.47
    1,3-propanediol 8.21
    bromobenzene 0.04
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.91
    2-methyl-cyclohexyl acetate 0.35
    tetrabutyl urea 0.72
    diisobutyl methanol 0.08
    2-phenylethanol 0.4
    styrene 0.04
    dioctyl adipate 0.71
    dimethyl sulfate 14.07
    ethyl butyrate 0.86
    methyl lactate 17.71
    butyl lactate 3.05
    diethyl carbonate 0.61
    propanediol butyl ether 8.52
    triethyl orthoformate 1.2
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 2.04
    morpholine 9.63
    tert-butylamine 0.05
    n-dodecanol 0.14
    dimethoxymethane 24.87
    ethylene carbonate 2.71
    cyrene 8.69
    2-ethoxyethyl acetate 3.23
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.19
    4-methylpyridine 1.01
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.08
    DEF 4.9
    dimethyl isosorbide 9.1
    tetrachloroethylene 0.55
    eugenol 2.97
    triacetin 3.0
    span 80 5.0
    1,4-butanediol 1.57
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.12
    methyl formate 15.31
    2-methyl-1-butanol 0.36
    n-decane 0.01
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.68
    tetrahydropyran 0.88
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 12.14
    1-hexene 0.01
    2-isopropoxyethanol 3.29
    2,2,2-trifluoroethanol 5.95
    methyl butyrate 1.3

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
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
 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