Gemin D

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  • Identifiers

    CAS number
    84744-46-7

    Molecular formula
    C27H22O18

    SMILES
    C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 83.72%
    Phenolic 25.97%
    Burnt 22.67%
    Savory 16.96%
    Balsamic 16.54%
    Milky 16.14%
    Bitter 15.08%
    Vanilla 14.63%
    Smoky 13.56%
    Clean 13.36%

     

    Flavor
    Bitter 82.65%
    Odorless 42.65%
    Bland 33.86%
    Very mild 25.08%
    Sweet-like 24.94%
    Mild 20.73%
    Cedarleaf 19.47%
    Parsley 19.2%
    Lovage 19.1%
    Nitrile 19.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    5.6 (weak acid)

    Molecular weight
    634.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4994°C

    Flash point

    • 347.79 ˚C est.

  • Synonyms

    • Gemin D
    • 84744-46-7
    • [1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate
    • (1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo(13.4.0.02,7)nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl) 3,4,5-trihydroxybenzoate
    • RefChem:142858
    • D-Glucose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate)
    • D-Glucose, cyclic 4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)
    • SCHEMBL29369264
    • DTXSID701005046
    • [1-[heptahydroxy(dioxo)[?]yl]-2-hydroxy-3-oxo-propyl] 3,4,5-trihydroxybenzoate
    • 1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2-hydroxy-3-oxopropyl 3,4,5-trihydroxybenzoate
    • 84744-46-7

  • Applications

    Gemin D (CAS 84744-46-7) is typically used as an industrial chemical intermediate and solvent, serving as a processing aid in chemical synthesis and formulation work. In practical applications, it may function as a fragrance odorant or fixative component in perfumery and cosmetics, and as a solvent or co-solvent in coatings, inks, adhesives, and cleaning products. It can also be evaluated as a processing aid or plasticizer in polymer formulations under appropriate regulatory and formulation limits. The exact role is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.05
    methanol 12.67
    isopropanol 8.38
    water 1.23
    ethyl acetate 7.26
    n-propanol 8.35
    acetone 22.41
    n-butanol 3.36
    acetonitrile 5.4
    DMF 169.99
    toluene 0.75
    isobutanol 2.73
    1,4-dioxane 33.72
    methyl acetate 15.66
    THF 68.64
    2-butanone 13.13
    n-pentanol 1.91
    sec-butanol 5.19
    n-hexane 0.05
    ethylene glycol 40.89
    NMP 111.34
    cyclohexane 0.13
    DMSO 182.95
    n-butyl acetate 1.85
    n-octanol 2.4
    chloroform 1.06
    n-propyl acetate 3.06
    acetic acid 78.02
    dichloromethane 1.47
    cyclohexanone 7.74
    propylene glycol 39.1
    isopropyl acetate 3.58
    DMAc 141.83
    2-ethoxyethanol 44.27
    isopentanol 1.38
    n-heptane 0.14
    ethyl formate 6.41
    1,2-dichloroethane 1.52
    n-hexanol 1.01
    2-methoxyethanol 109.69
    isobutyl acetate 0.72
    tetrachloromethane 0.18
    n-pentyl acetate 2.81
    transcutol 38.51
    n-heptanol 2.1
    ethylbenzene 0.24
    MIBK 1.52
    2-propoxyethanol 22.41
    tert-butanol 5.52
    MTBE 3.17
    2-butoxyethanol 14.29
    propionic acid 21.41
    o-xylene 0.49
    formic acid 79.1
    diethyl ether 4.51
    m-xylene 0.32
    p-xylene 0.25
    chlorobenzene 0.26
    dimethyl carbonate 19.57
    n-octane 0.11
    formamide 104.23
    cyclopentanone 26.59
    2-pentanone 5.67
    anisole 1.91
    cyclopentyl methyl ether 7.87
    gamma-butyrolactone 49.12
    1-methoxy-2-propanol 65.38
    pyridine 12.75
    3-pentanone 4.79
    furfural 24.09
    n-dodecane 0.08
    diethylene glycol 36.99
    diisopropyl ether 0.58
    tert-amyl alcohol 4.02
    acetylacetone 14.5
    n-hexadecane 0.09
    acetophenone 2.3
    methyl propionate 14.39
    isopentyl acetate 0.93
    trichloroethylene 3.01
    n-nonanol 2.34
    cyclohexanol 2.72
    benzyl alcohol 2.79
    2-ethylhexanol 0.46
    isooctanol 1.14
    dipropyl ether 2.78
    1,2-dichlorobenzene 0.19
    ethyl lactate 6.25
    propylene carbonate 8.86
    n-methylformamide 55.6
    2-pentanol 2.02
    n-pentane 0.09
    1-propoxy-2-propanol 14.26
    1-methoxy-2-propyl acetate 7.71
    2-(2-methoxypropoxy) propanol 9.57
    mesitylene 0.15
    ε-caprolactone 11.25
    p-cymene 0.18
    epichlorohydrin 23.86
    1,1,1-trichloroethane 0.47
    2-aminoethanol 35.09
    morpholine-4-carbaldehyde 110.92
    sulfolane 71.22
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 13.73
    n-hexyl acetate 3.04
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 16.48
    sec-butyl acetate 1.37
    tert-butyl acetate 3.11
    decalin 0.03
    glycerin 98.2
    diglyme 32.32
    acrylic acid 31.14
    isopropyl myristate 1.01
    n-butyric acid 8.71
    acetyl acetate 4.45
    di(2-ethylhexyl) phthalate 1.01
    ethyl propionate 3.5
    nitromethane 114.68
    1,2-diethoxyethane 6.97
    benzonitrile 0.98
    trioctyl phosphate 1.09
    1-bromopropane 0.54
    gamma-valerolactone 71.94
    n-decanol 1.57
    triethyl phosphate 1.21
    4-methyl-2-pentanol 0.6
    propionitrile 3.06
    vinylene carbonate 7.72
    1,1,2-trichlorotrifluoroethane 38.95
    DMS 4.85
    cumene 0.12
    2-octanol 1.4
    2-hexanone 2.17
    octyl acetate 2.02
    limonene 0.28
    1,2-dimethoxyethane 34.72
    ethyl orthosilicate 1.09
    tributyl phosphate 0.86
    diacetone alcohol 10.61
    N,N-dimethylaniline 1.5
    acrylonitrile 6.35
    aniline 3.02
    1,3-propanediol 30.82
    bromobenzene 0.16
    dibromomethane 0.57
    1,1,2,2-tetrachloroethane 2.49
    2-methyl-cyclohexyl acetate 0.91
    tetrabutyl urea 2.49
    diisobutyl methanol 0.31
    2-phenylethanol 1.47
    styrene 0.3
    dioctyl adipate 2.02
    dimethyl sulfate 36.19
    ethyl butyrate 2.0
    methyl lactate 28.78
    butyl lactate 4.66
    diethyl carbonate 1.47
    propanediol butyl ether 16.88
    triethyl orthoformate 2.4
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 4.08
    morpholine 52.66
    tert-butylamine 1.42
    n-dodecanol 1.03
    dimethoxymethane 65.91
    ethylene carbonate 5.72
    cyrene 13.07
    2-ethoxyethyl acetate 7.85
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 0.46
    4-methylpyridine 5.26
    dibutyl ether 1.67
    2,6-dimethyl-4-heptanol 0.31
    DEF 16.09
    dimethyl isosorbide 10.92
    tetrachloroethylene 1.57
    eugenol 4.15
    triacetin 6.89
    span 80 8.91
    1,4-butanediol 9.68
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.76
    methyl formate 39.73
    2-methyl-1-butanol 1.77
    n-decane 0.16
    butyronitrile 1.61
    3,7-dimethyl-1-octanol 0.72
    1-chlorooctane 0.45
    1-chlorotetradecane 0.17
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.02
    cyclooctane 0.06
    cyclopentanol 7.99
    tetrahydropyran 9.68
    tert-amyl methyl ether 2.92
    2,5,8-trioxanonane 20.18
    1-hexene 0.19
    2-isopropoxyethanol 15.76
    2,2,2-trifluoroethanol 32.58
    methyl butyrate 3.97

    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