(2R,3R,4S,5S,6R)-2-[(1S,3R,4R)-3,4-dihydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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  • Identifiers

    CAS number
    141897-12-3

    Molecular formula
    C19H34O9

    SMILES
    C[C@H](/C=C/[C@@]1([C@](C[C@H](CC1(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.15%
    Sweet 35.49%
    Woody 26.97%
    Milky 23.68%
    Cooling 22.77%
    Vanilla 22.04%
    Creamy 21.95%
    Mint 19.68%
    Savory 18.32%
    Dry 16.42%

     

    Flavor
    Bitter 59.06%
    Sweet 47.13%
    Odorless 40.33%
    Sweet-like 27.67%
    Fruity 26.09%
    Fatty 21.65%
    Very slight 21.52%
    Cauliflower 20.7%
    Mentholic 20.67%
    Toffee 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    6.65 (neutral)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    1780°C

    Flash point

    • 232.04 ˚C est.

  • Synonyms

    • 141897-12-3
    • MEGxp0_000058
    • ACon1_001819
    • DTXSID301110918
    • NCGC00180108-01
    • (1S,3R,4R)-3,4-Dihydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethylcyclohexyl I(2)-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-(((1S,3R,4R)-3,4-dihydroxy-4-((R,E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohexyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • beta-D-Glucopyranoside, (1S,3R,4R)-3,4-dihydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethylcyclohexyl
    • 141897-12-3

  • Applications

    Regarding the compound (2R,3R,4S,5S,6R)-2-[(1S,3R,4R)-3,4-dihydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 141897-12-3), practical applications are mainly in fragrance and flavor chemistry, where it is used as a fragrance ingredient or aroma precursor; as a lipophilic glycoside, it may serve as a chiral building block and intermediate in industrial chemical synthesis; in cosmetics/personal care, it may function as a fragrance component in formulations; in household products such as detergents and cleaners it is used as a fragrance additive; in research and development contexts, it is evaluated as a glycosylated intermediate for the synthesis of new fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.48
    methanol 96.46
    isopropanol 2.36
    water 29.53
    ethyl acetate 2.44
    n-propanol 5.2
    acetone 6.34
    n-butanol 2.73
    acetonitrile 2.1
    DMF 99.44
    toluene 1.13
    isobutanol 1.66
    1,4-dioxane 15.05
    methyl acetate 2.08
    THF 26.68
    2-butanone 2.83
    n-pentanol 2.08
    sec-butanol 1.66
    n-hexane 0.17
    ethylene glycol 47.75
    NMP 111.07
    cyclohexane 0.4
    DMSO 309.76
    n-butyl acetate 0.92
    n-octanol 1.73
    chloroform 1.16
    n-propyl acetate 1.16
    acetic acid 62.62
    dichloromethane 1.86
    cyclohexanone 7.73
    propylene glycol 27.04
    isopropyl acetate 1.54
    DMAc 67.87
    2-ethoxyethanol 31.82
    isopentanol 1.45
    n-heptane 0.35
    ethyl formate 2.92
    1,2-dichloroethane 1.61
    n-hexanol 2.15
    2-methoxyethanol 87.53
    isobutyl acetate 0.65
    tetrachloromethane 0.34
    n-pentyl acetate 1.49
    transcutol 35.74
    n-heptanol 2.55
    ethylbenzene 0.65
    MIBK 2.09
    2-propoxyethanol 23.71
    tert-butanol 1.75
    MTBE 0.78
    2-butoxyethanol 13.24
    propionic acid 6.8
    o-xylene 1.06
    formic acid 304.18
    diethyl ether 2.21
    m-xylene 1.04
    p-xylene 0.63
    chlorobenzene 0.51
    dimethyl carbonate 7.5
    n-octane 0.18
    formamide 192.45
    cyclopentanone 15.19
    2-pentanone 3.33
    anisole 2.06
    cyclopentyl methyl ether 7.17
    gamma-butyrolactone 22.73
    1-methoxy-2-propanol 36.9
    pyridine 6.14
    3-pentanone 2.7
    furfural 23.86
    n-dodecane 0.07
    diethylene glycol 53.11
    diisopropyl ether 0.51
    tert-amyl alcohol 1.53
    acetylacetone 9.39
    n-hexadecane 0.08
    acetophenone 3.6
    methyl propionate 5.04
    isopentyl acetate 0.84
    trichloroethylene 2.92
    n-nonanol 1.71
    cyclohexanol 2.84
    benzyl alcohol 4.01
    2-ethylhexanol 1.03
    isooctanol 1.7
    dipropyl ether 1.83
    1,2-dichlorobenzene 0.66
    ethyl lactate 4.06
    propylene carbonate 6.21
    n-methylformamide 46.36
    2-pentanol 1.24
    n-pentane 0.2
    1-propoxy-2-propanol 8.82
    1-methoxy-2-propyl acetate 5.23
    2-(2-methoxypropoxy) propanol 9.21
    mesitylene 0.68
    ε-caprolactone 8.14
    p-cymene 0.57
    epichlorohydrin 14.49
    1,1,1-trichloroethane 0.41
    2-aminoethanol 44.27
    morpholine-4-carbaldehyde 85.01
    sulfolane 80.09
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 5.58
    n-hexyl acetate 1.98
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 15.24
    sec-butyl acetate 0.71
    tert-butyl acetate 2.11
    decalin 0.16
    glycerin 101.04
    diglyme 27.1
    acrylic acid 15.1
    isopropyl myristate 0.59
    n-butyric acid 5.21
    acetyl acetate 2.52
    di(2-ethylhexyl) phthalate 1.62
    ethyl propionate 1.54
    nitromethane 46.83
    1,2-diethoxyethane 3.47
    benzonitrile 1.36
    trioctyl phosphate 1.2
    1-bromopropane 0.58
    gamma-valerolactone 48.94
    n-decanol 1.09
    triethyl phosphate 1.35
    4-methyl-2-pentanol 0.79
    propionitrile 0.97
    vinylene carbonate 6.44
    1,1,2-trichlorotrifluoroethane 34.63
    DMS 2.75
    cumene 0.46
    2-octanol 1.1
    2-hexanone 1.51
    octyl acetate 1.1
    limonene 0.91
    1,2-dimethoxyethane 18.72
    ethyl orthosilicate 1.29
    tributyl phosphate 0.87
    diacetone alcohol 9.06
    N,N-dimethylaniline 2.61
    acrylonitrile 2.45
    aniline 2.39
    1,3-propanediol 27.96
    bromobenzene 0.4
    dibromomethane 0.94
    1,1,2,2-tetrachloroethane 2.48
    2-methyl-cyclohexyl acetate 1.57
    tetrabutyl urea 2.0
    diisobutyl methanol 0.65
    2-phenylethanol 3.19
    styrene 0.59
    dioctyl adipate 1.45
    dimethyl sulfate 23.88
    ethyl butyrate 1.19
    methyl lactate 16.84
    butyl lactate 3.42
    diethyl carbonate 0.78
    propanediol butyl ether 13.42
    triethyl orthoformate 1.47
    p-tert-butyltoluene 0.59
    methyl 4-tert-butylbenzoate 6.44
    morpholine 22.51
    tert-butylamine 0.57
    n-dodecanol 0.67
    dimethoxymethane 41.23
    ethylene carbonate 4.14
    cyrene 26.85
    2-ethoxyethyl acetate 4.04
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 1.01
    4-methylpyridine 3.26
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.65
    DEF 9.82
    dimethyl isosorbide 19.6
    tetrachloroethylene 2.66
    eugenol 7.78
    triacetin 4.69
    span 80 8.98
    1,4-butanediol 9.92
    1,1-dichloroethane 0.43
    2-methyl-1-pentanol 1.28
    methyl formate 29.36
    2-methyl-1-butanol 1.61
    n-decane 0.17
    butyronitrile 0.91
    3,7-dimethyl-1-octanol 1.03
    1-chlorooctane 0.46
    1-chlorotetradecane 0.14
    n-nonane 0.17
    undecane 0.1
    tert-butylcyclohexane 0.1
    cyclooctane 0.24
    cyclopentanol 4.4
    tetrahydropyran 4.59
    tert-amyl methyl ether 1.26
    2,5,8-trioxanonane 19.62
    1-hexene 0.38
    2-isopropoxyethanol 10.42
    2,2,2-trifluoroethanol 22.49
    methyl butyrate 1.89

    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