2-[(E)-5-[6-Hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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  • Identifiers

    CAS number
    90851-28-8

    Molecular formula
    C32H54O13

    SMILES
    C/C(=C\COC1C(C(C(C(O1)CO)O)O)O)/CCC2C(=C)CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.18%
    Sweet 36.56%
    Woody 35.17%
    Spicy 27.58%
    Mint 24.63%
    Cooling 24.17%
    Warm 22.09%
    Amber 21.77%
    Sandalwood 20.64%
    Dry 20.56%

     

    Flavor
    Bitter 53.4%
    Sweet 34.4%
    Odorless 31.41%
    Fatty 29.99%
    Sweet-like 26.23%
    Bland 21.63%
    Cedarleaf 21.45%
    Mentholic 20.87%
    Cauliflower 20.59%
    Clary 20.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.15 (weak acid)

    Molecular weight
    646.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    3838°C

    Flash point

    • 252.03 ˚C est.

  • Synonyms

    • 90851-28-8
    • 2-[(E)-5-[6-Hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • beta-D-Glucopyranoside, (2E)-5-[(1R,4aS,5S,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl
    • C32H54O13
    • AKOS040761799
    • 2-[(E)-5-[6-hydroxy-5,8a-dimethyl-2-methylene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]decalin-1-yl]-3-methyl-pent-2-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • 90851-28-8

  • Applications

    For the chemical 2-[(E)-5-[6-Hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 90851-28-8), typical applications span pharmaceutical/natural product synthesis as an intermediate, serving as a glycosylated fragment that can support solubility and enable derivatization in drug development; cosmetic/personal care and perfumery use as a glycoside-bearing ingredient or fragrance precursor; industrial materials applications as a functional building block in coatings, inks, and specialty polymers, leveraging the sugar moiety for hydrophilicity and potential crosslinking; and related research contexts where it is evaluated as a specialty additive or synthetic building block under regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.53
    methanol 7.42
    isopropanol 0.14
    water 0.07
    ethyl acetate 0.36
    n-propanol 0.41
    acetone 0.58
    n-butanol 0.24
    acetonitrile 0.19
    DMF 7.38
    toluene 0.13
    isobutanol 0.14
    1,4-dioxane 1.92
    methyl acetate 0.37
    THF 3.59
    2-butanone 0.49
    n-pentanol 0.16
    sec-butanol 0.14
    n-hexane 0.01
    ethylene glycol 1.13
    NMP 11.91
    cyclohexane 0.01
    DMSO 10.45
    n-butyl acetate 0.14
    n-octanol 0.21
    chloroform 0.47
    n-propyl acetate 0.16
    acetic acid 4.63
    dichloromethane 0.52
    cyclohexanone 0.98
    propylene glycol 1.03
    isopropyl acetate 0.22
    DMAc 7.5
    2-ethoxyethanol 2.53
    isopentanol 0.14
    n-heptane 0.01
    ethyl formate 0.46
    1,2-dichloroethane 0.28
    n-hexanol 0.13
    2-methoxyethanol 7.03
    isobutyl acetate 0.08
    tetrachloromethane 0.08
    n-pentyl acetate 0.39
    transcutol 6.67
    n-heptanol 0.27
    ethylbenzene 0.05
    MIBK 0.23
    2-propoxyethanol 2.24
    tert-butanol 0.09
    MTBE 0.1
    2-butoxyethanol 2.06
    propionic acid 0.71
    o-xylene 0.11
    formic acid 12.33
    diethyl ether 0.21
    m-xylene 0.11
    p-xylene 0.04
    chlorobenzene 0.11
    dimethyl carbonate 0.98
    n-octane 0.01
    formamide 6.99
    cyclopentanone 2.13
    2-pentanone 0.43
    anisole 0.26
    cyclopentyl methyl ether 0.7
    gamma-butyrolactone 2.87
    1-methoxy-2-propanol 2.83
    pyridine 1.03
    3-pentanone 0.35
    furfural 4.05
    n-dodecane 0.0
    diethylene glycol 3.14
    diisopropyl ether 0.04
    tert-amyl alcohol 0.11
    acetylacetone 1.23
    n-hexadecane 0.01
    acetophenone 0.39
    methyl propionate 0.66
    isopentyl acetate 0.13
    trichloroethylene 0.84
    n-nonanol 0.23
    cyclohexanol 0.2
    benzyl alcohol 0.41
    2-ethylhexanol 0.07
    isooctanol 0.17
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.13
    ethyl lactate 0.46
    propylene carbonate 0.9
    n-methylformamide 3.62
    2-pentanol 0.09
    n-pentane 0.01
    1-propoxy-2-propanol 1.02
    1-methoxy-2-propyl acetate 0.83
    2-(2-methoxypropoxy) propanol 1.47
    mesitylene 0.06
    ε-caprolactone 1.25
    p-cymene 0.05
    epichlorohydrin 2.66
    1,1,1-trichloroethane 0.11
    2-aminoethanol 1.57
    morpholine-4-carbaldehyde 11.61
    sulfolane 8.97
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.67
    n-hexyl acetate 0.42
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.52
    sec-butyl acetate 0.1
    tert-butyl acetate 0.27
    decalin 0.01
    glycerin 5.27
    diglyme 5.65
    acrylic acid 1.59
    isopropyl myristate 0.09
    n-butyric acid 0.74
    acetyl acetate 0.46
    di(2-ethylhexyl) phthalate 0.23
    ethyl propionate 0.2
    nitromethane 5.33
    1,2-diethoxyethane 0.54
    benzonitrile 0.17
    trioctyl phosphate 0.15
    1-bromopropane 0.08
    gamma-valerolactone 8.98
    n-decanol 0.12
    triethyl phosphate 0.16
    4-methyl-2-pentanol 0.06
    propionitrile 0.14
    vinylene carbonate 1.11
    1,1,2-trichlorotrifluoroethane 6.56
    DMS 0.43
    cumene 0.03
    2-octanol 0.12
    2-hexanone 0.19
    octyl acetate 0.19
    limonene 0.07
    1,2-dimethoxyethane 2.49
    ethyl orthosilicate 0.16
    tributyl phosphate 0.12
    diacetone alcohol 0.88
    N,N-dimethylaniline 0.24
    acrylonitrile 0.35
    aniline 0.3
    1,3-propanediol 1.49
    bromobenzene 0.08
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 0.58
    2-methyl-cyclohexyl acetate 0.19
    tetrabutyl urea 0.24
    diisobutyl methanol 0.05
    2-phenylethanol 0.33
    styrene 0.05
    dioctyl adipate 0.25
    dimethyl sulfate 3.01
    ethyl butyrate 0.19
    methyl lactate 1.86
    butyl lactate 0.64
    diethyl carbonate 0.11
    propanediol butyl ether 2.19
    triethyl orthoformate 0.24
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.02
    morpholine 2.54
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 4.39
    ethylene carbonate 0.65
    cyrene 3.38
    2-ethoxyethyl acetate 1.13
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.2
    4-methylpyridine 0.47
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.18
    dimethyl isosorbide 2.94
    tetrachloroethylene 0.52
    eugenol 1.12
    triacetin 1.02
    span 80 1.37
    1,4-butanediol 0.47
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.11
    methyl formate 2.93
    2-methyl-1-butanol 0.16
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.06
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.32
    tetrahydropyran 0.54
    tert-amyl methyl ether 0.14
    2,5,8-trioxanonane 3.54
    1-hexene 0.02
    2-isopropoxyethanol 0.87
    2,2,2-trifluoroethanol 1.86
    methyl butyrate 0.27

    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