3,7-Dimethyloct-6-en-1-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

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  • Identifiers

    CAS number
    209681-41-4

    Molecular formula
    C22H40O11

    SMILES
    CC(CCC=C(C)C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.79%
    Sweet 38.94%
    Mint 22.19%
    Citrus 20.94%
    Milky 20.73%
    Cooling 20.73%
    Fresh 20.3%
    Woody 19.96%
    Spicy 18.26%
    Vanilla 18.03%

     

    Flavor
    Sweet 43.15%
    Bitter 41.09%
    Odorless 32.34%
    Fatty 29.42%
    Sweet-like 26.28%
    Mild 23.32%
    Mentholic 21.52%
    Bland 21.21%
    Cauliflower 21.05%
    Metallic 21.0%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.11 (neutral)

    Molecular weight
    480.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2619°C

    Flash point

    • 212.27 ˚C est.

  • Synonyms

    • DTXSID201158882
    • 3,7-Dimethyloct-6-en-1-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • 3,7-Dimethyl-6-octen-1-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
    • 209681-41-4
    • 209681-41-4

  • Applications

    3,7-Dimethyloct-6-en-1-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS number: 209681-41-4) is primarily used as a fragrance ingredient or precursor in perfumery, with potential as a flavor/aroma precursor in the flavor sector; in cosmetics/personal care it serves as an odorant component; in household products it may be added as a fragrance additive; and in industrial manufacturing it can be considered as an intermediate in the synthesis of other terpenoid glycosides used in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.71
    methanol 29.55
    isopropanol 1.85
    water 10.71
    ethyl acetate 2.25
    n-propanol 3.83
    acetone 5.66
    n-butanol 2.97
    acetonitrile 2.09
    DMF 35.59
    toluene 1.03
    isobutanol 1.51
    1,4-dioxane 7.89
    methyl acetate 2.62
    THF 11.41
    2-butanone 3.67
    n-pentanol 1.84
    sec-butanol 1.8
    n-hexane 0.07
    ethylene glycol 14.6
    NMP 64.44
    cyclohexane 0.32
    DMSO 134.37
    n-butyl acetate 0.85
    n-octanol 1.94
    chloroform 2.0
    n-propyl acetate 1.05
    acetic acid 49.92
    dichloromethane 2.25
    cyclohexanone 9.03
    propylene glycol 13.45
    isopropyl acetate 1.45
    DMAc 50.12
    2-ethoxyethanol 16.09
    isopentanol 1.65
    n-heptane 0.19
    ethyl formate 2.72
    1,2-dichloroethane 1.85
    n-hexanol 1.33
    2-methoxyethanol 37.78
    isobutyl acetate 0.58
    tetrachloromethane 0.53
    n-pentyl acetate 2.08
    transcutol 45.4
    n-heptanol 2.28
    ethylbenzene 0.42
    MIBK 1.65
    2-propoxyethanol 10.66
    tert-butanol 1.54
    MTBE 0.79
    2-butoxyethanol 10.55
    propionic acid 7.84
    o-xylene 1.06
    formic acid 99.68
    diethyl ether 1.27
    m-xylene 0.87
    p-xylene 0.48
    chlorobenzene 0.62
    dimethyl carbonate 5.61
    n-octane 0.13
    formamide 68.52
    cyclopentanone 12.55
    2-pentanone 3.16
    anisole 1.39
    cyclopentyl methyl ether 4.26
    gamma-butyrolactone 15.31
    1-methoxy-2-propanol 18.73
    pyridine 4.72
    3-pentanone 2.99
    furfural 16.12
    n-dodecane 0.08
    diethylene glycol 20.64
    diisopropyl ether 0.36
    tert-amyl alcohol 1.79
    acetylacetone 8.01
    n-hexadecane 0.09
    acetophenone 3.04
    methyl propionate 4.33
    isopentyl acetate 0.87
    trichloroethylene 4.08
    n-nonanol 1.98
    cyclohexanol 3.36
    benzyl alcohol 3.24
    2-ethylhexanol 0.78
    isooctanol 1.58
    dipropyl ether 1.02
    1,2-dichlorobenzene 0.78
    ethyl lactate 3.72
    propylene carbonate 5.42
    n-methylformamide 19.81
    2-pentanol 1.32
    n-pentane 0.13
    1-propoxy-2-propanol 6.0
    1-methoxy-2-propyl acetate 4.28
    2-(2-methoxypropoxy) propanol 10.55
    mesitylene 0.54
    ε-caprolactone 8.88
    p-cymene 0.46
    epichlorohydrin 10.23
    1,1,1-trichloroethane 0.88
    2-aminoethanol 16.49
    morpholine-4-carbaldehyde 44.87
    sulfolane 58.31
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 4.31
    n-hexyl acetate 2.57
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 16.01
    sec-butyl acetate 0.74
    tert-butyl acetate 1.86
    decalin 0.11
    glycerin 46.67
    diglyme 24.18
    acrylic acid 14.39
    isopropyl myristate 0.8
    n-butyric acid 7.27
    acetyl acetate 3.06
    di(2-ethylhexyl) phthalate 2.12
    ethyl propionate 1.26
    nitromethane 36.37
    1,2-diethoxyethane 3.42
    benzonitrile 1.28
    trioctyl phosphate 1.51
    1-bromopropane 0.65
    gamma-valerolactone 31.16
    n-decanol 1.27
    triethyl phosphate 1.38
    4-methyl-2-pentanol 0.69
    propionitrile 1.06
    vinylene carbonate 5.88
    1,1,2-trichlorotrifluoroethane 30.61
    DMS 3.13
    cumene 0.32
    2-octanol 1.14
    2-hexanone 1.4
    octyl acetate 1.61
    limonene 0.77
    1,2-dimethoxyethane 9.19
    ethyl orthosilicate 1.31
    tributyl phosphate 1.23
    diacetone alcohol 7.82
    N,N-dimethylaniline 1.68
    acrylonitrile 2.29
    aniline 2.46
    1,3-propanediol 17.28
    bromobenzene 0.52
    dibromomethane 1.23
    1,1,2,2-tetrachloroethane 3.91
    2-methyl-cyclohexyl acetate 1.62
    tetrabutyl urea 2.51
    diisobutyl methanol 0.5
    2-phenylethanol 2.19
    styrene 0.44
    dioctyl adipate 2.26
    dimethyl sulfate 18.08
    ethyl butyrate 1.13
    methyl lactate 12.95
    butyl lactate 4.46
    diethyl carbonate 0.75
    propanediol butyl ether 14.88
    triethyl orthoformate 1.49
    p-tert-butyltoluene 0.49
    methyl 4-tert-butylbenzoate 6.48
    morpholine 12.47
    tert-butylamine 0.48
    n-dodecanol 0.81
    dimethoxymethane 15.03
    ethylene carbonate 4.03
    cyrene 21.03
    2-ethoxyethyl acetate 4.85
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 1.34
    4-methylpyridine 2.67
    dibutyl ether 0.86
    2,6-dimethyl-4-heptanol 0.5
    DEF 8.46
    dimethyl isosorbide 15.5
    tetrachloroethylene 3.27
    eugenol 7.08
    triacetin 6.71
    span 80 10.63
    1,4-butanediol 6.33
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 1.29
    methyl formate 13.19
    2-methyl-1-butanol 1.86
    n-decane 0.17
    butyronitrile 0.93
    3,7-dimethyl-1-octanol 1.1
    1-chlorooctane 0.53
    1-chlorotetradecane 0.2
    n-nonane 0.15
    undecane 0.11
    tert-butylcyclohexane 0.06
    cyclooctane 0.2
    cyclopentanol 4.29
    tetrahydropyran 3.59
    tert-amyl methyl ether 1.27
    2,5,8-trioxanonane 19.33
    1-hexene 0.2
    2-isopropoxyethanol 6.73
    2,2,2-trifluoroethanol 21.62
    methyl butyrate 1.68

    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