(2E)-5-[(1R,4aS,5S,8aS)-5-[(I(2)-D-Glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl I(2)-D-glucopyranoside

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  • Identifiers

    CAS number
    90851-27-7

    Molecular formula
    C32H54O12

    SMILES
    CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCCC3(C)COC4C(C(C(C(O4)CO)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.42%
    Woody 37.68%
    Sweet 31.59%
    Spicy 28.3%
    Amber 25.67%
    Sandalwood 22.45%
    Dry 22.41%
    Mint 22.0%
    Warm 21.9%
    Cooling 21.43%

     

    Flavor
    Bitter 47.57%
    Sweet 32.72%
    Fatty 29.64%
    Odorless 28.41%
    Sweet-like 24.66%
    Cedarleaf 21.49%
    Mild 20.99%
    Mentholic 20.94%
    Clary 20.85%
    Sandalwood 20.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.69 (weak acid)

    Molecular weight
    630.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    2360°C

    Flash point

    • 243.95 ˚C est.

  • Synonyms

    • DTXSID801100231
    • (2E)-5-[(1R,4aS,5S,8aS)-5-[(I(2)-D-Glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl I(2)-D-glucopyranoside
    • 90851-27-7
    • 90851-27-7

  • Applications

    CAS 90851-27-7, the chemical name is (2E)-5-[(1R,4aS,5S,8aS)-5-[(I(2)-D-Glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl I(2)-D-glucopyranoside, is recognized as a glycosylation-capable compound with potential applications across several industries; typical uses include acting as a glycosylation intermediate or fragrance/cosmetic ingredient; in cosmetics and personal care, it may be considered as a fragrance component or synthetic intermediate for scent formulation; in household products, it can serve as a fragrance additive or scent-release agent; in industrial manufacturing, it can function as an intermediate for organic synthesis and for preparation of glycosylated derivatives in pharmaceutical or agricultural R&D, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.47
    methanol 5.64
    isopropanol 0.12
    water 0.05
    ethyl acetate 0.37
    n-propanol 0.36
    acetone 0.6
    n-butanol 0.23
    acetonitrile 0.19
    DMF 5.92
    toluene 0.18
    isobutanol 0.14
    1,4-dioxane 1.79
    methyl acetate 0.36
    THF 3.68
    2-butanone 0.5
    n-pentanol 0.17
    sec-butanol 0.13
    n-hexane 0.01
    ethylene glycol 0.76
    NMP 11.53
    cyclohexane 0.02
    DMSO 8.25
    n-butyl acetate 0.16
    n-octanol 0.23
    chloroform 0.63
    n-propyl acetate 0.18
    acetic acid 4.3
    dichloromethane 0.66
    cyclohexanone 1.09
    propylene glycol 0.75
    isopropyl acetate 0.25
    DMAc 6.9
    2-ethoxyethanol 2.36
    isopentanol 0.14
    n-heptane 0.01
    ethyl formate 0.45
    1,2-dichloroethane 0.33
    n-hexanol 0.14
    2-methoxyethanol 5.72
    isobutyl acetate 0.1
    tetrachloromethane 0.09
    n-pentyl acetate 0.45
    transcutol 7.19
    n-heptanol 0.29
    ethylbenzene 0.07
    MIBK 0.27
    2-propoxyethanol 2.21
    tert-butanol 0.09
    MTBE 0.11
    2-butoxyethanol 2.13
    propionic acid 0.67
    o-xylene 0.14
    formic acid 9.75
    diethyl ether 0.21
    m-xylene 0.15
    p-xylene 0.06
    chlorobenzene 0.15
    dimethyl carbonate 0.93
    n-octane 0.01
    formamide 5.63
    cyclopentanone 2.31
    2-pentanone 0.46
    anisole 0.33
    cyclopentyl methyl ether 0.81
    gamma-butyrolactone 3.02
    1-methoxy-2-propanol 2.43
    pyridine 1.13
    3-pentanone 0.38
    furfural 4.17
    n-dodecane 0.01
    diethylene glycol 2.62
    diisopropyl ether 0.04
    tert-amyl alcohol 0.11
    acetylacetone 1.33
    n-hexadecane 0.01
    acetophenone 0.48
    methyl propionate 0.67
    isopentyl acetate 0.16
    trichloroethylene 1.07
    n-nonanol 0.25
    cyclohexanol 0.2
    benzyl alcohol 0.48
    2-ethylhexanol 0.08
    isooctanol 0.19
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.18
    ethyl lactate 0.46
    propylene carbonate 0.94
    n-methylformamide 3.0
    2-pentanol 0.09
    n-pentane 0.01
    1-propoxy-2-propanol 1.02
    1-methoxy-2-propyl acetate 0.91
    2-(2-methoxypropoxy) propanol 1.67
    mesitylene 0.08
    ε-caprolactone 1.36
    p-cymene 0.06
    epichlorohydrin 2.91
    1,1,1-trichloroethane 0.14
    2-aminoethanol 1.24
    morpholine-4-carbaldehyde 10.84
    sulfolane 9.17
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.74
    n-hexyl acetate 0.5
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.76
    sec-butyl acetate 0.12
    tert-butyl acetate 0.32
    decalin 0.01
    glycerin 3.86
    diglyme 6.02
    acrylic acid 1.49
    isopropyl myristate 0.11
    n-butyric acid 0.74
    acetyl acetate 0.5
    di(2-ethylhexyl) phthalate 0.28
    ethyl propionate 0.21
    nitromethane 4.95
    1,2-diethoxyethane 0.58
    benzonitrile 0.21
    trioctyl phosphate 0.17
    1-bromopropane 0.09
    gamma-valerolactone 9.08
    n-decanol 0.13
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.06
    propionitrile 0.14
    vinylene carbonate 1.18
    1,1,2-trichlorotrifluoroethane 6.54
    DMS 0.47
    cumene 0.04
    2-octanol 0.12
    2-hexanone 0.22
    octyl acetate 0.22
    limonene 0.08
    1,2-dimethoxyethane 2.29
    ethyl orthosilicate 0.18
    tributyl phosphate 0.14
    diacetone alcohol 0.94
    N,N-dimethylaniline 0.29
    acrylonitrile 0.35
    aniline 0.34
    1,3-propanediol 1.19
    bromobenzene 0.13
    dibromomethane 0.27
    1,1,2,2-tetrachloroethane 0.72
    2-methyl-cyclohexyl acetate 0.24
    tetrabutyl urea 0.27
    diisobutyl methanol 0.05
    2-phenylethanol 0.39
    styrene 0.07
    dioctyl adipate 0.3
    dimethyl sulfate 2.79
    ethyl butyrate 0.21
    methyl lactate 1.64
    butyl lactate 0.71
    diethyl carbonate 0.12
    propanediol butyl ether 2.22
    triethyl orthoformate 0.28
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.19
    morpholine 2.36
    tert-butylamine 0.03
    n-dodecanol 0.07
    dimethoxymethane 3.83
    ethylene carbonate 0.7
    cyrene 3.75
    2-ethoxyethyl acetate 1.27
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 0.57
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.14
    dimethyl isosorbide 3.38
    tetrachloroethylene 0.63
    eugenol 1.33
    triacetin 1.16
    span 80 1.51
    1,4-butanediol 0.41
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.13
    methyl formate 2.44
    2-methyl-1-butanol 0.16
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.32
    tetrahydropyran 0.54
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 3.82
    1-hexene 0.02
    2-isopropoxyethanol 0.87
    2,2,2-trifluoroethanol 1.62
    methyl butyrate 0.3

    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