(1S,4E)-1-Ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-I(2)-D-glucopyranoside

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  • Identifiers

    CAS number
    116174-69-7

    Molecular formula
    C39H66O18

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@](C)(CC/C=C(\C)/CCC=C(C)C)C=C)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.25%
    Sweet 35.34%
    Spicy 24.44%
    Woody 24.25%
    Milky 21.69%
    Citrus 18.62%
    Vanilla 18.4%
    Creamy 18.13%
    Mint 17.22%
    Fresh 17.2%

     

    Flavor
    Bitter 48.8%
    Sweet 28.77%
    Fatty 26.9%
    Odorless 26.72%
    Sweet-like 24.85%
    Cedarleaf 21.49%
    Bland 20.99%
    Metallic 20.92%
    Mentholic 20.74%
    Green tea 20.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    4.58 (weak acid)

    Molecular weight
    822.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    4348°C

    Flash point

    • 182.03 ˚C est.

  • Synonyms

    • DTXSID501098867
    • (1S,4E)-1-Ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-I(2)-D-glucopyranoside
    • 116174-69-7
    • 116174-69-7

  • Applications

    The chemical name (1S,4E)-1-Ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-I(2)-D-glucopyranoside, CAS 116174-69-7, is a glycosylated terpenoid-type molecule and finds applications in several contexts: as a fragrance ingredient or aroma precursor in perfumery, enabling slow release of aroma or creation of novel scent profiles upon hydrolysis or glycosylation; in cosmetics and personal care it may function as a glycoside-based surfactant or co-emulsifier and as a carrier for fragrance or actives in formulations; as an industrial and pharmaceutical research intermediate, it serves as a scaffold for the synthesis of glycosylated terpenoid derivatives and as a substrate in glycosylation chemistry studies; and as a specialty additive for coatings or inks where its amphiphilic headgroup can influence wetting, stability, or formulation performance, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.44
    methanol 23.92
    isopropanol 1.34
    water 0.19
    ethyl acetate 3.59
    n-propanol 3.8
    acetone 4.07
    n-butanol 2.43
    acetonitrile 1.33
    DMF 45.38
    toluene 1.17
    isobutanol 1.43
    1,4-dioxane 12.44
    methyl acetate 4.39
    THF 26.41
    2-butanone 5.19
    n-pentanol 1.71
    sec-butanol 1.86
    n-hexane 0.04
    ethylene glycol 4.5
    NMP 74.88
    cyclohexane 0.1
    DMSO 53.16
    n-butyl acetate 1.35
    n-octanol 1.77
    chloroform 5.47
    n-propyl acetate 1.73
    acetic acid 30.59
    dichloromethane 5.51
    cyclohexanone 9.09
    propylene glycol 7.95
    isopropyl acetate 1.96
    DMAc 57.96
    2-ethoxyethanol 14.71
    isopentanol 1.29
    n-heptane 0.08
    ethyl formate 4.51
    1,2-dichloroethane 2.41
    n-hexanol 1.1
    2-methoxyethanol 33.78
    isobutyl acetate 0.81
    tetrachloromethane 0.62
    n-pentyl acetate 3.29
    transcutol 32.79
    n-heptanol 1.9
    ethylbenzene 0.41
    MIBK 1.69
    2-propoxyethanol 11.95
    tert-butanol 1.02
    MTBE 1.12
    2-butoxyethanol 10.78
    propionic acid 8.14
    o-xylene 0.84
    formic acid 37.34
    diethyl ether 1.71
    m-xylene 0.72
    p-xylene 0.4
    chlorobenzene 1.05
    dimethyl carbonate 7.3
    n-octane 0.05
    formamide 26.64
    cyclopentanone 17.61
    2-pentanone 3.93
    anisole 2.15
    cyclopentyl methyl ether 5.5
    gamma-butyrolactone 25.48
    1-methoxy-2-propanol 19.55
    pyridine 8.1
    3-pentanone 3.45
    furfural 25.84
    n-dodecane 0.04
    diethylene glycol 12.28
    diisopropyl ether 0.28
    tert-amyl alcohol 1.6
    acetylacetone 8.27
    n-hexadecane 0.04
    acetophenone 3.45
    methyl propionate 6.33
    isopentyl acetate 1.19
    trichloroethylene 8.09
    n-nonanol 1.83
    cyclohexanol 2.08
    benzyl alcohol 3.51
    2-ethylhexanol 0.63
    isooctanol 1.23
    dipropyl ether 1.19
    1,2-dichlorobenzene 1.06
    ethyl lactate 4.1
    propylene carbonate 8.8
    n-methylformamide 21.14
    2-pentanol 1.1
    n-pentane 0.06
    1-propoxy-2-propanol 6.73
    1-methoxy-2-propyl acetate 5.53
    2-(2-methoxypropoxy) propanol 9.4
    mesitylene 0.35
    ε-caprolactone 12.56
    p-cymene 0.32
    epichlorohydrin 19.85
    1,1,1-trichloroethane 1.15
    2-aminoethanol 8.65
    morpholine-4-carbaldehyde 58.09
    sulfolane 59.44
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 7.28
    n-hexyl acetate 3.76
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 13.19
    sec-butyl acetate 1.08
    tert-butyl acetate 2.17
    decalin 0.06
    glycerin 22.37
    diglyme 24.56
    acrylic acid 14.05
    isopropyl myristate 0.79
    n-butyric acid 8.16
    acetyl acetate 3.74
    di(2-ethylhexyl) phthalate 1.88
    ethyl propionate 1.96
    nitromethane 32.57
    1,2-diethoxyethane 3.7
    benzonitrile 1.51
    trioctyl phosphate 1.29
    1-bromopropane 0.87
    gamma-valerolactone 53.64
    n-decanol 1.01
    triethyl phosphate 1.37
    4-methyl-2-pentanol 0.53
    propionitrile 1.24
    vinylene carbonate 9.96
    1,1,2-trichlorotrifluoroethane 39.49
    DMS 3.6
    cumene 0.26
    2-octanol 1.04
    2-hexanone 1.89
    octyl acetate 1.7
    limonene 0.52
    1,2-dimethoxyethane 13.79
    ethyl orthosilicate 1.31
    tributyl phosphate 1.12
    diacetone alcohol 6.5
    N,N-dimethylaniline 1.87
    acrylonitrile 2.78
    aniline 2.67
    1,3-propanediol 9.38
    bromobenzene 0.84
    dibromomethane 2.15
    1,1,2,2-tetrachloroethane 6.01
    2-methyl-cyclohexyl acetate 1.57
    tetrabutyl urea 2.04
    diisobutyl methanol 0.36
    2-phenylethanol 2.18
    styrene 0.49
    dioctyl adipate 2.33
    dimethyl sulfate 19.03
    ethyl butyrate 1.54
    methyl lactate 13.93
    butyl lactate 5.43
    diethyl carbonate 0.99
    propanediol butyl ether 13.46
    triethyl orthoformate 1.97
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 6.28
    morpholine 18.23
    tert-butylamine 0.31
    n-dodecanol 0.56
    dimethoxymethane 22.89
    ethylene carbonate 6.28
    cyrene 19.16
    2-ethoxyethyl acetate 7.97
    2-ethylhexyl acetate 0.94
    1,2,4-trichlorobenzene 2.0
    4-methylpyridine 4.78
    dibutyl ether 0.93
    2,6-dimethyl-4-heptanol 0.36
    DEF 10.37
    dimethyl isosorbide 14.44
    tetrachloroethylene 4.24
    eugenol 6.43
    triacetin 7.99
    span 80 9.78
    1,4-butanediol 3.31
    1,1-dichloroethane 1.21
    2-methyl-1-pentanol 1.19
    methyl formate 16.68
    2-methyl-1-butanol 1.72
    n-decane 0.09
    butyronitrile 1.06
    3,7-dimethyl-1-octanol 0.93
    1-chlorooctane 0.48
    1-chlorotetradecane 0.13
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.04
    cyclooctane 0.06
    cyclopentanol 3.41
    tetrahydropyran 5.05
    tert-amyl methyl ether 1.66
    2,5,8-trioxanonane 15.93
    1-hexene 0.16
    2-isopropoxyethanol 5.71
    2,2,2-trifluoroethanol 11.88
    methyl butyrate 2.85

    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