(2R,4S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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  • Identifiers

    CAS number
    90851-25-5

    Molecular formula
    C26H44O8

    SMILES
    C/C(=C\CO)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CC[C@H]([C@]2(C)CO[C@H]3C([C@H](C([C@H](O3)CO)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 45.45%
    Odorless 39.61%
    Sweet 38.55%
    Spicy 30.79%
    Mint 29.15%
    Amber 28.68%
    Sandalwood 27.8%
    Balsamic 27.13%
    Dry 26.3%
    Cooling 25.64%

     

    Flavor
    Bitter 49.95%
    Sweet 32.96%
    Herbal 27.43%
    Fatty 25.09%
    Odorless 25.06%
    Woody 23.84%
    Fresh 23.53%
    Sweet-like 22.58%
    Mild 22.56%
    Balsam 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.05 (neutral)

    Molecular weight
    484.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    1349°C

    Flash point

    • 238.72 ˚C est.

  • Synonyms

    • Goshonoside F2
    • 90851-25-5
    • orb1992610
    • AKOS040734107
    • NCGC00385231-01
    • NCGC00385231-01_C26H44O8_{(1S,2R,4aS,5R,8aS)-2-Hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl beta-D-threo-hexopyranoside
    • 90851-25-5

  • Applications

    (2R,4S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CAS 90851-25-5, is a terpenoid glycoside derivative with multiple hydroxyl groups, and practical applications typically focus on fragrance, cosmetics, and household products; it may be used as a fragrance ingredient or fragrance precursor in perfumery and aroma formulations, with potential aroma release upon hydrolysis or enzymatic action; additionally, it is often evaluated as an intermediate or building block in the synthesis of terpenoid glycosides and may be considered for use in cosmetics/personal care and consumer household products; in industrial manufacturing, it can serve as an intermediate for complex synthetic sequences, and any use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.95
    methanol 31.74
    isopropanol 0.8
    water 0.25
    ethyl acetate 1.47
    n-propanol 1.89
    acetone 3.3
    n-butanol 1.22
    acetonitrile 0.69
    DMF 18.74
    toluene 0.63
    isobutanol 0.74
    1,4-dioxane 7.82
    methyl acetate 1.18
    THF 18.67
    2-butanone 1.83
    n-pentanol 0.95
    sec-butanol 0.56
    n-hexane 0.03
    ethylene glycol 3.88
    NMP 24.95
    cyclohexane 0.07
    DMSO 46.06
    n-butyl acetate 0.69
    n-octanol 1.05
    chloroform 1.32
    n-propyl acetate 0.68
    acetic acid 20.35
    dichloromethane 1.39
    cyclohexanone 4.12
    propylene glycol 3.6
    isopropyl acetate 1.17
    DMAc 19.93
    2-ethoxyethanol 11.62
    isopentanol 0.81
    n-heptane 0.06
    ethyl formate 1.56
    1,2-dichloroethane 1.02
    n-hexanol 0.98
    2-methoxyethanol 27.28
    isobutyl acetate 0.48
    tetrachloromethane 0.31
    n-pentyl acetate 1.73
    transcutol 33.18
    n-heptanol 1.47
    ethylbenzene 0.27
    MIBK 1.41
    2-propoxyethanol 11.09
    tert-butanol 0.64
    MTBE 0.51
    2-butoxyethanol 9.0
    propionic acid 2.3
    o-xylene 0.51
    formic acid 35.13
    diethyl ether 1.0
    m-xylene 0.62
    p-xylene 0.24
    chlorobenzene 0.46
    dimethyl carbonate 3.04
    n-octane 0.03
    formamide 22.66
    cyclopentanone 8.11
    2-pentanone 2.02
    anisole 1.22
    cyclopentyl methyl ether 3.48
    gamma-butyrolactone 9.41
    1-methoxy-2-propanol 12.36
    pyridine 3.27
    3-pentanone 1.37
    furfural 10.84
    n-dodecane 0.02
    diethylene glycol 15.04
    diisopropyl ether 0.24
    tert-amyl alcohol 0.58
    acetylacetone 5.85
    n-hexadecane 0.02
    acetophenone 1.77
    methyl propionate 2.19
    isopentyl acetate 0.87
    trichloroethylene 2.7
    n-nonanol 1.09
    cyclohexanol 0.92
    benzyl alcohol 2.03
    2-ethylhexanol 0.5
    isooctanol 1.08
    dipropyl ether 0.79
    1,2-dichlorobenzene 0.51
    ethyl lactate 1.75
    propylene carbonate 2.98
    n-methylformamide 9.84
    2-pentanol 0.48
    n-pentane 0.04
    1-propoxy-2-propanol 4.96
    1-methoxy-2-propyl acetate 4.28
    2-(2-methoxypropoxy) propanol 6.48
    mesitylene 0.37
    ε-caprolactone 4.51
    p-cymene 0.3
    epichlorohydrin 10.34
    1,1,1-trichloroethane 0.46
    2-aminoethanol 6.93
    morpholine-4-carbaldehyde 28.63
    sulfolane 25.73
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 2.95
    n-hexyl acetate 1.91
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 11.12
    sec-butyl acetate 0.51
    tert-butyl acetate 1.64
    decalin 0.04
    glycerin 14.14
    diglyme 21.46
    acrylic acid 4.58
    isopropyl myristate 0.46
    n-butyric acid 2.98
    acetyl acetate 1.96
    di(2-ethylhexyl) phthalate 1.24
    ethyl propionate 0.78
    nitromethane 16.61
    1,2-diethoxyethane 2.69
    benzonitrile 0.8
    trioctyl phosphate 0.74
    1-bromopropane 0.32
    gamma-valerolactone 25.94
    n-decanol 0.57
    triethyl phosphate 0.79
    4-methyl-2-pentanol 0.41
    propionitrile 0.46
    vinylene carbonate 3.46
    1,1,2-trichlorotrifluoroethane 16.44
    DMS 1.8
    cumene 0.2
    2-octanol 0.6
    2-hexanone 0.95
    octyl acetate 0.84
    limonene 0.43
    1,2-dimethoxyethane 9.77
    ethyl orthosilicate 0.82
    tributyl phosphate 0.6
    diacetone alcohol 4.64
    N,N-dimethylaniline 1.1
    acrylonitrile 1.05
    aniline 1.32
    1,3-propanediol 7.41
    bromobenzene 0.37
    dibromomethane 0.72
    1,1,2,2-tetrachloroethane 1.91
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 1.06
    diisobutyl methanol 0.35
    2-phenylethanol 2.05
    styrene 0.26
    dioctyl adipate 1.19
    dimethyl sulfate 8.28
    ethyl butyrate 0.8
    methyl lactate 5.71
    butyl lactate 2.76
    diethyl carbonate 0.47
    propanediol butyl ether 8.96
    triethyl orthoformate 1.12
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 4.66
    morpholine 10.13
    tert-butylamine 0.21
    n-dodecanol 0.31
    dimethoxymethane 16.48
    ethylene carbonate 2.27
    cyrene 11.4
    2-ethoxyethyl acetate 4.7
    2-ethylhexyl acetate 0.61
    1,2,4-trichlorobenzene 0.85
    4-methylpyridine 1.82
    dibutyl ether 0.47
    2,6-dimethyl-4-heptanol 0.35
    DEF 3.7
    dimethyl isosorbide 12.2
    tetrachloroethylene 1.84
    eugenol 5.4
    triacetin 4.34
    span 80 5.76
    1,4-butanediol 2.3
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 0.71
    methyl formate 8.0
    2-methyl-1-butanol 0.78
    n-decane 0.05
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.26
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 1.44
    tetrahydropyran 2.44
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 14.06
    1-hexene 0.11
    2-isopropoxyethanol 4.5
    2,2,2-trifluoroethanol 6.26
    methyl butyrate 1.06

    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