I(2)-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6a(2)-ester with 2-I(2)-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one

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  • Identifiers

    CAS number
    122575-51-3

    Molecular formula
    C45H50O19

    SMILES
    CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC5=CC(=C(C=C5C4=O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.35%
    Spicy 27.76%
    Sweet 20.65%
    Milky 19.13%
    Balsamic 17.95%
    Savory 17.92%
    Fresh 16.3%
    Warm 16.04%
    Vanilla 15.81%
    Fruity 15.35%

     

    Flavor
    Bitter 86.54%
    Odorless 27.79%
    Bland 23.76%
    Sweet-like 19.92%
    Cedarleaf 19.58%
    Lovage 19.12%
    Nitrile 18.85%
    Parsley 18.59%
    Heather 18.45%
    Broom 18.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    -129.74 (strong acid)

    Molecular weight
    894.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6210°C

    Flash point

    • -365.05 ˚C est.

  • Synonyms

    • DTXSID601098503
    • 122575-51-3
    • I(2)-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6a(2)-ester with 2-I(2)-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
    • 122575-51-3

  • Applications

    The compound I(2)-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6a(2)-ester with 2-I(2)-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one (CAS 122575-51-3) is a glycosylated xanthene dye/ester primarily used as a fluorescent dye and probe in biological and analytical contexts; it may serve as a substrate or reference dye in glycosidase assays and glycoscience research; its glucopyranose moiety enhances water solubility, enabling use as a colorant in inks and coatings; it can function as a fluorescent tag for polymers and materials in research and development; it may be employed as an intermediate in dye synthesis for imaging reagents; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.1
    methanol 12.02
    isopropanol 1.66
    water 0.13
    ethyl acetate 0.81
    n-propanol 3.02
    acetone 1.85
    n-butanol 1.57
    acetonitrile 0.48
    DMF 28.12
    toluene 0.24
    isobutanol 1.08
    1,4-dioxane 5.82
    methyl acetate 1.89
    THF 10.88
    2-butanone 2.61
    n-pentanol 0.99
    sec-butanol 1.62
    n-hexane 0.02
    ethylene glycol 7.18
    NMP 39.29
    cyclohexane 0.03
    DMSO 28.19
    n-butyl acetate 0.33
    n-octanol 0.58
    chloroform 0.86
    n-propyl acetate 0.46
    acetic acid 15.41
    dichloromethane 1.01
    cyclohexanone 3.33
    propylene glycol 11.46
    isopropyl acetate 0.42
    DMAc 33.68
    2-ethoxyethanol 8.5
    isopentanol 0.68
    n-heptane 0.02
    ethyl formate 1.61
    1,2-dichloroethane 0.64
    n-hexanol 0.45
    2-methoxyethanol 21.79
    isobutyl acetate 0.17
    tetrachloromethane 0.15
    n-pentyl acetate 0.77
    transcutol 8.46
    n-heptanol 0.68
    ethylbenzene 0.08
    MIBK 0.41
    2-propoxyethanol 5.34
    tert-butanol 0.84
    MTBE 0.4
    2-butoxyethanol 4.1
    propionic acid 5.24
    o-xylene 0.17
    formic acid 20.96
    diethyl ether 0.66
    m-xylene 0.12
    p-xylene 0.08
    chlorobenzene 0.13
    dimethyl carbonate 2.95
    n-octane 0.02
    formamide 15.41
    cyclopentanone 6.78
    2-pentanone 1.18
    anisole 0.4
    cyclopentyl methyl ether 1.34
    gamma-butyrolactone 9.61
    1-methoxy-2-propanol 13.05
    pyridine 2.68
    3-pentanone 1.08
    furfural 7.24
    n-dodecane 0.01
    diethylene glycol 8.04
    diisopropyl ether 0.08
    tert-amyl alcohol 0.97
    acetylacetone 1.84
    n-hexadecane 0.01
    acetophenone 0.67
    methyl propionate 2.09
    isopentyl acetate 0.25
    trichloroethylene 1.35
    n-nonanol 0.57
    cyclohexanol 1.09
    benzyl alcohol 1.06
    2-ethylhexanol 0.19
    isooctanol 0.38
    dipropyl ether 0.36
    1,2-dichlorobenzene 0.12
    ethyl lactate 1.56
    propylene carbonate 2.48
    n-methylformamide 13.37
    2-pentanol 0.68
    n-pentane 0.03
    1-propoxy-2-propanol 2.97
    1-methoxy-2-propyl acetate 1.36
    2-(2-methoxypropoxy) propanol 2.94
    mesitylene 0.05
    ε-caprolactone 3.98
    p-cymene 0.05
    epichlorohydrin 5.69
    1,1,1-trichloroethane 0.2
    2-aminoethanol 8.66
    morpholine-4-carbaldehyde 27.27
    sulfolane 22.27
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.42
    n-hexyl acetate 0.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.23
    sec-butyl acetate 0.24
    tert-butyl acetate 0.41
    decalin 0.01
    glycerin 25.78
    diglyme 6.99
    acrylic acid 8.48
    isopropyl myristate 0.19
    n-butyric acid 3.08
    acetyl acetate 0.65
    di(2-ethylhexyl) phthalate 0.41
    ethyl propionate 0.49
    nitromethane 13.56
    1,2-diethoxyethane 1.04
    benzonitrile 0.33
    trioctyl phosphate 0.35
    1-bromopropane 0.25
    gamma-valerolactone 21.27
    n-decanol 0.34
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.24
    propionitrile 0.61
    vinylene carbonate 2.56
    1,1,2-trichlorotrifluoroethane 15.58
    DMS 0.95
    cumene 0.04
    2-octanol 0.37
    2-hexanone 0.64
    octyl acetate 0.43
    limonene 0.1
    1,2-dimethoxyethane 6.1
    ethyl orthosilicate 0.27
    tributyl phosphate 0.3
    diacetone alcohol 2.44
    N,N-dimethylaniline 0.37
    acrylonitrile 1.25
    aniline 0.86
    1,3-propanediol 8.59
    bromobenzene 0.08
    dibromomethane 0.39
    1,1,2,2-tetrachloroethane 1.34
    2-methyl-cyclohexyl acetate 0.3
    tetrabutyl urea 0.63
    diisobutyl methanol 0.09
    2-phenylethanol 0.54
    styrene 0.09
    dioctyl adipate 0.5
    dimethyl sulfate 7.09
    ethyl butyrate 0.33
    methyl lactate 7.77
    butyl lactate 1.68
    diethyl carbonate 0.23
    propanediol butyl ether 5.52
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.18
    morpholine 9.99
    tert-butylamine 0.22
    n-dodecanol 0.19
    dimethoxymethane 10.7
    ethylene carbonate 1.71
    cyrene 5.79
    2-ethoxyethyl acetate 1.87
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 1.19
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.09
    DEF 3.62
    dimethyl isosorbide 3.08
    tetrachloroethylene 0.99
    eugenol 1.45
    triacetin 1.61
    span 80 3.11
    1,4-butanediol 3.07
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 0.5
    methyl formate 9.2
    2-methyl-1-butanol 0.94
    n-decane 0.02
    butyronitrile 0.37
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.11
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.46
    tetrahydropyran 1.9
    tert-amyl methyl ether 0.5
    2,5,8-trioxanonane 4.46
    1-hexene 0.07
    2-isopropoxyethanol 3.06
    2,2,2-trifluoroethanol 6.08
    methyl butyrate 0.77

    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