I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]

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  • Identifiers

    CAS number
    90851-26-6

    Molecular formula
    C32H52O13

    SMILES
    CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCCC3(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.76%
    Woody 31.82%
    Spicy 27.24%
    Sweet 26.54%
    Cooling 22.7%
    Amber 21.7%
    Mint 21.17%
    Warm 20.25%
    Dry 19.99%
    Balsamic 19.83%

     

    Flavor
    Bitter 60.99%
    Odorless 29.33%
    Fatty 26.68%
    Sweet-like 25.27%
    Sweet 24.15%
    Bland 23.69%
    Cedarleaf 22.0%
    Sandalwood 20.6%
    Clary 20.39%
    Mentholic 20.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    4.94 (weak acid)

    Molecular weight
    644.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    2890°C

    Flash point

    • 250.55 ˚C est.

  • Synonyms

    • DTXSID801099921
    • 90851-26-6
    • I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]
    • 90851-26-6

  • Applications

    The compound I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate], CAS 90851-26-6 is primarily used as a fragrance component or fragrance precursor in perfumery and personal-care formulations; it may also function as an odorant or glycosylated building block in cosmetic products and household cleaners, and can serve as a chiral intermediate for the synthesis of more complex aroma compounds. In industrial contexts, it can be evaluated as an intermediate in chemical manufacturing and as a specialty additive for coatings and inks where fragrance release or masking is desired, all subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.8
    methanol 17.03
    isopropanol 0.55
    water 0.08
    ethyl acetate 1.06
    n-propanol 1.39
    acetone 2.18
    n-butanol 0.77
    acetonitrile 0.5
    DMF 15.82
    toluene 0.36
    isobutanol 0.48
    1,4-dioxane 5.7
    methyl acetate 1.11
    THF 11.88
    2-butanone 1.63
    n-pentanol 0.5
    sec-butanol 0.47
    n-hexane 0.01
    ethylene glycol 2.83
    NMP 26.1
    cyclohexane 0.04
    DMSO 26.58
    n-butyl acetate 0.36
    n-octanol 0.46
    chloroform 1.39
    n-propyl acetate 0.43
    acetic acid 14.1
    dichloromethane 1.45
    cyclohexanone 3.13
    propylene glycol 3.1
    isopropyl acetate 0.63
    DMAc 18.0
    2-ethoxyethanol 6.12
    isopentanol 0.43
    n-heptane 0.02
    ethyl formate 1.34
    1,2-dichloroethane 0.86
    n-hexanol 0.35
    2-methoxyethanol 17.22
    isobutyl acetate 0.21
    tetrachloromethane 0.2
    n-pentyl acetate 0.82
    transcutol 12.56
    n-heptanol 0.58
    ethylbenzene 0.12
    MIBK 0.64
    2-propoxyethanol 5.02
    tert-butanol 0.36
    MTBE 0.29
    2-butoxyethanol 3.96
    propionic acid 1.98
    o-xylene 0.25
    formic acid 21.5
    diethyl ether 0.58
    m-xylene 0.25
    p-xylene 0.11
    chlorobenzene 0.29
    dimethyl carbonate 2.2
    n-octane 0.01
    formamide 13.58
    cyclopentanone 6.6
    2-pentanone 1.33
    anisole 0.62
    cyclopentyl methyl ether 1.82
    gamma-butyrolactone 7.82
    1-methoxy-2-propanol 7.36
    pyridine 2.71
    3-pentanone 1.02
    furfural 8.8
    n-dodecane 0.01
    diethylene glycol 7.27
    diisopropyl ether 0.1
    tert-amyl alcohol 0.37
    acetylacetone 3.45
    n-hexadecane 0.01
    acetophenone 0.94
    methyl propionate 1.68
    isopentyl acetate 0.33
    trichloroethylene 2.28
    n-nonanol 0.47
    cyclohexanol 0.6
    benzyl alcohol 1.06
    2-ethylhexanol 0.16
    isooctanol 0.36
    dipropyl ether 0.33
    1,2-dichlorobenzene 0.3
    ethyl lactate 1.04
    propylene carbonate 2.3
    n-methylformamide 8.23
    2-pentanol 0.29
    n-pentane 0.02
    1-propoxy-2-propanol 2.15
    1-methoxy-2-propyl acetate 1.79
    2-(2-methoxypropoxy) propanol 2.76
    mesitylene 0.13
    ε-caprolactone 3.43
    p-cymene 0.09
    epichlorohydrin 7.3
    1,1,1-trichloroethane 0.35
    2-aminoethanol 4.14
    morpholine-4-carbaldehyde 23.28
    sulfolane 21.26
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.22
    n-hexyl acetate 0.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.66
    sec-butyl acetate 0.27
    tert-butyl acetate 0.71
    decalin 0.02
    glycerin 10.97
    diglyme 9.96
    acrylic acid 3.99
    isopropyl myristate 0.2
    n-butyric acid 2.18
    acetyl acetate 1.22
    di(2-ethylhexyl) phthalate 0.49
    ethyl propionate 0.49
    nitromethane 12.87
    1,2-diethoxyethane 1.18
    benzonitrile 0.44
    trioctyl phosphate 0.33
    1-bromopropane 0.24
    gamma-valerolactone 21.71
    n-decanol 0.25
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.17
    propionitrile 0.36
    vinylene carbonate 2.65
    1,1,2-trichlorotrifluoroethane 12.87
    DMS 0.99
    cumene 0.08
    2-octanol 0.26
    2-hexanone 0.56
    octyl acetate 0.41
    limonene 0.14
    1,2-dimethoxyethane 5.91
    ethyl orthosilicate 0.32
    tributyl phosphate 0.27
    diacetone alcohol 2.36
    N,N-dimethylaniline 0.5
    acrylonitrile 0.85
    aniline 0.82
    1,3-propanediol 4.45
    bromobenzene 0.22
    dibromomethane 0.62
    1,1,2,2-tetrachloroethane 1.69
    2-methyl-cyclohexyl acetate 0.44
    tetrabutyl urea 0.53
    diisobutyl methanol 0.1
    2-phenylethanol 0.8
    styrene 0.13
    dioctyl adipate 0.54
    dimethyl sulfate 5.98
    ethyl butyrate 0.4
    methyl lactate 4.38
    butyl lactate 1.28
    diethyl carbonate 0.23
    propanediol butyl ether 4.26
    triethyl orthoformate 0.48
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.84
    morpholine 7.07
    tert-butylamine 0.11
    n-dodecanol 0.13
    dimethoxymethane 10.29
    ethylene carbonate 1.66
    cyrene 6.28
    2-ethoxyethyl acetate 2.36
    2-ethylhexyl acetate 0.24
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 1.31
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.91
    dimethyl isosorbide 5.19
    tetrachloroethylene 1.43
    eugenol 2.01
    triacetin 1.94
    span 80 2.71
    1,4-butanediol 1.36
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.34
    methyl formate 6.73
    2-methyl-1-butanol 0.47
    n-decane 0.02
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.11
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.14
    tetrahydropyran 1.7
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 6.32
    1-hexene 0.05
    2-isopropoxyethanol 2.14
    2,2,2-trifluoroethanol 4.47
    methyl butyrate 0.72

    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