D-Glucitol, 1-C-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl)-, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), (1S)-

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  • Identifiers

    CAS number
    154524-52-4

    Molecular formula
    C49H38O28

    SMILES
    C1C(C(OC2=C1C(=C(C(=C2)O)C(C3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.49%
    Phenolic 40.62%
    Burnt 27.61%
    Smoky 19.96%
    Balsamic 18.29%
    Spicy 17.58%
    Vanilla 16.8%
    Savory 16.74%
    Medicinal 15.25%
    Bitter 15.13%

     

    Flavor
    Bitter 89.86%
    Odorless 32.32%
    Bland 29.77%
    Sweet-like 24.08%
    Cedarleaf 19.96%
    Lovage 19.33%
    Parsley 19.23%
    Eugenol 19.2%
    Nitrile 18.9%
    Rotten 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    4.82 (weak acid)

    Molecular weight
    1074.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    4460°C

    Flash point

    • 378.39 ˚C est.

  • Synonyms

    • 154524-52-4
    • D-Glucitol, 1-C-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl)-, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), (1S)-
    • D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate], (1S)-
    • RefChem:336493
    • Camelliatannin C
    • SCHEMBL30190306
    • DTXSID901098469
    • D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4a(2),5,5a(2),6,6a(2)-hexahydroxy[1,1a(2)-biphenyl]-2,2a(2)-dicarboxylate], (1S)-
    • 154524-52-4

  • Applications

    D-Glucitol, 1-C-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl)-, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), (1S)- is used as a multifunctional building block in organic synthesis and advanced materials. In industrial manufacturing, it may act as a crosslinking agent or functional monomer for polymers; in coatings and inks, it can serve as a stabilizer or antioxidant and influence film properties; in adhesives, it may function as a crosslink-promoting additive. In cosmetics and personal care, the polyhydroxy phenyl structure may be evaluated for formulation compatibility as a polyol-type ingredient or antioxidant. In pharmaceutical development, it may be evaluated as an intermediate for synthesis of more complex compounds. These roles are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.19
    methanol 3.42
    isopropanol 1.04
    water 0.16
    ethyl acetate 1.93
    n-propanol 1.51
    acetone 3.57
    n-butanol 0.64
    acetonitrile 1.0
    DMF 84.32
    toluene 0.22
    isobutanol 0.49
    1,4-dioxane 11.28
    methyl acetate 3.82
    THF 20.29
    2-butanone 2.97
    n-pentanol 0.33
    sec-butanol 0.83
    n-hexane 0.01
    ethylene glycol 9.69
    NMP 67.07
    cyclohexane 0.01
    DMSO 44.69
    n-butyl acetate 0.69
    n-octanol 0.7
    chloroform 0.56
    n-propyl acetate 0.93
    acetic acid 16.31
    dichloromethane 0.77
    cyclohexanone 2.24
    propylene glycol 9.51
    isopropyl acetate 0.97
    DMAc 62.63
    2-ethoxyethanol 14.86
    isopentanol 0.27
    n-heptane 0.02
    ethyl formate 2.4
    1,2-dichloroethane 0.57
    n-hexanol 0.2
    2-methoxyethanol 44.94
    isobutyl acetate 0.25
    tetrachloromethane 0.07
    n-pentyl acetate 1.25
    transcutol 21.34
    n-heptanol 0.59
    ethylbenzene 0.07
    MIBK 0.41
    2-propoxyethanol 9.57
    tert-butanol 0.77
    MTBE 0.63
    2-butoxyethanol 7.14
    propionic acid 5.1
    o-xylene 0.15
    formic acid 26.28
    diethyl ether 0.79
    m-xylene 0.11
    p-xylene 0.07
    chlorobenzene 0.11
    dimethyl carbonate 8.45
    n-octane 0.02
    formamide 30.4
    cyclopentanone 9.17
    2-pentanone 1.39
    anisole 0.76
    cyclopentyl methyl ether 2.06
    gamma-butyrolactone 21.06
    1-methoxy-2-propanol 25.69
    pyridine 4.5
    3-pentanone 1.17
    furfural 16.39
    n-dodecane 0.01
    diethylene glycol 15.12
    diisopropyl ether 0.11
    tert-amyl alcohol 0.69
    acetylacetone 4.96
    n-hexadecane 0.02
    acetophenone 1.02
    methyl propionate 4.53
    isopentyl acetate 0.38
    trichloroethylene 1.68
    n-nonanol 0.74
    cyclohexanol 0.48
    benzyl alcohol 1.01
    2-ethylhexanol 0.13
    isooctanol 0.34
    dipropyl ether 0.79
    1,2-dichlorobenzene 0.11
    ethyl lactate 2.96
    propylene carbonate 4.39
    n-methylformamide 23.05
    2-pentanol 0.33
    n-pentane 0.01
    1-propoxy-2-propanol 6.48
    1-methoxy-2-propyl acetate 4.18
    2-(2-methoxypropoxy) propanol 5.8
    mesitylene 0.05
    ε-caprolactone 4.05
    p-cymene 0.06
    epichlorohydrin 10.98
    1,1,1-trichloroethane 0.18
    2-aminoethanol 8.29
    morpholine-4-carbaldehyde 76.8
    sulfolane 35.44
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.2
    n-hexyl acetate 1.33
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.94
    sec-butyl acetate 0.39
    tert-butyl acetate 1.01
    decalin 0.01
    glycerin 38.88
    diglyme 18.97
    acrylic acid 9.98
    isopropyl myristate 0.38
    n-butyric acid 2.58
    acetyl acetate 1.58
    di(2-ethylhexyl) phthalate 0.54
    ethyl propionate 1.12
    nitromethane 33.09
    1,2-diethoxyethane 2.78
    benzonitrile 0.4
    trioctyl phosphate 0.47
    1-bromopropane 0.15
    gamma-valerolactone 42.84
    n-decanol 0.45
    triethyl phosphate 0.62
    4-methyl-2-pentanol 0.12
    propionitrile 0.72
    vinylene carbonate 4.47
    1,1,2-trichlorotrifluoroethane 26.33
    DMS 2.64
    cumene 0.04
    2-octanol 0.39
    2-hexanone 0.57
    octyl acetate 0.82
    limonene 0.09
    1,2-dimethoxyethane 15.82
    ethyl orthosilicate 0.57
    tributyl phosphate 0.39
    diacetone alcohol 3.88
    N,N-dimethylaniline 0.64
    acrylonitrile 2.13
    aniline 0.88
    1,3-propanediol 8.06
    bromobenzene 0.07
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 1.31
    2-methyl-cyclohexyl acetate 0.39
    tetrabutyl urea 1.08
    diisobutyl methanol 0.09
    2-phenylethanol 0.54
    styrene 0.09
    dioctyl adipate 0.99
    dimethyl sulfate 21.3
    ethyl butyrate 0.83
    methyl lactate 14.42
    butyl lactate 2.75
    diethyl carbonate 0.65
    propanediol butyl ether 9.65
    triethyl orthoformate 1.23
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 2.44
    morpholine 17.1
    tert-butylamine 0.19
    n-dodecanol 0.27
    dimethoxymethane 28.16
    ethylene carbonate 2.69
    cyrene 8.16
    2-ethoxyethyl acetate 4.39
    2-ethylhexyl acetate 0.27
    1,2,4-trichlorobenzene 0.28
    4-methylpyridine 1.92
    dibutyl ether 0.53
    2,6-dimethyl-4-heptanol 0.09
    DEF 5.7
    dimethyl isosorbide 7.68
    tetrachloroethylene 0.8
    eugenol 2.73
    triacetin 4.28
    span 80 5.33
    1,4-butanediol 1.98
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.16
    methyl formate 17.37
    2-methyl-1-butanol 0.36
    n-decane 0.03
    butyronitrile 0.4
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.13
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.46
    tetrahydropyran 1.9
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 12.0
    1-hexene 0.03
    2-isopropoxyethanol 4.9
    2,2,2-trifluoroethanol 9.64
    methyl butyrate 1.42

    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