(6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one

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  • Identifiers

    CAS number
    179983-86-9

    Molecular formula
    C16H26O7

    SMILES
    CC(=C)C(=O)CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.17%
    Sweet 33.23%
    Woody 26.0%
    Milky 20.98%
    Mint 20.24%
    Cooling 19.53%
    Dry 19.19%
    Savory 18.24%
    Spicy 17.94%
    Floral 17.55%

     

    Flavor
    Bitter 66.39%
    Odorless 24.02%
    Sweet-like 21.06%
    Cedarleaf 20.55%
    Bland 19.93%
    Leaves 19.49%
    Parsley 19.26%
    Broom 19.18%
    Heather 19.06%
    Light 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    6.79 (neutral)

    Molecular weight
    330.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1051°C

    Flash point

    • 190.99 ˚C est.

  • Synonyms

    • 179983-86-9
    • (6S)-2,6-dimethyl-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyocta-1,7-dien-3-one
    • (6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-1,7-dien-3-one
    • RefChem:69710
    • (6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one
    • SCHEMBL14716190
    • DTXSID201177024
    • (3S)-3,7-Dimethyl-6-oxoocta-1,7-dien-3-yl beta-D-glucopyranoside
    • (6S)-6-(I(2)-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one
    • 179983-86-9

  • Applications

    Chemical name and CAS: (6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one (CAS 179983-86-9). Applications include fragrance and personal care, where the glycoside is often used as a fragrance precursor or odorant with potential light fixing properties, and hydrolysis can yield an aroma-active aglycone for use in perfumery and cosmetic formulations. In the food and beverage sector, it may be explored as a natural aroma precursor or aroma-delivery component. It can also function as an industrial intermediate or formulation ingredient in scent-related products for cleaning and household goods, subject to regulatory compliance and formulation limits. It may also serve as a chemical intermediate in manufacturing and in research contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.71
    methanol 321.63
    isopropanol 37.36
    water 38.99
    ethyl acetate 27.29
    n-propanol 52.63
    acetone 64.65
    n-butanol 63.62
    acetonitrile 15.35
    DMF 282.79
    toluene 7.72
    isobutanol 21.65
    1,4-dioxane 119.92
    methyl acetate 18.52
    THF 163.02
    2-butanone 25.5
    n-pentanol 24.41
    sec-butanol 26.55
    n-hexane 0.71
    ethylene glycol 124.94
    NMP 150.24
    cyclohexane 4.68
    DMSO 832.23
    n-butyl acetate 4.71
    n-octanol 10.14
    chloroform 7.27
    n-propyl acetate 8.06
    acetic acid 252.48
    dichloromethane 8.72
    cyclohexanone 58.93
    propylene glycol 92.0
    isopropyl acetate 14.66
    DMAc 296.06
    2-ethoxyethanol 170.19
    isopentanol 30.43
    n-heptane 1.38
    ethyl formate 24.2
    1,2-dichloroethane 10.89
    n-hexanol 13.64
    2-methoxyethanol 391.66
    isobutyl acetate 4.41
    tetrachloromethane 2.03
    n-pentyl acetate 6.76
    transcutol 192.65
    n-heptanol 12.65
    ethylbenzene 3.92
    MIBK 18.32
    2-propoxyethanol 68.69
    tert-butanol 40.63
    MTBE 11.05
    2-butoxyethanol 45.75
    propionic acid 45.87
    o-xylene 7.9
    formic acid 437.97
    diethyl ether 18.69
    m-xylene 6.53
    p-xylene 4.42
    chlorobenzene 3.92
    dimethyl carbonate 27.55
    n-octane 0.94
    formamide 401.49
    cyclopentanone 78.6
    2-pentanone 34.72
    anisole 13.93
    cyclopentyl methyl ether 38.67
    gamma-butyrolactone 80.27
    1-methoxy-2-propanol 178.29
    pyridine 32.67
    3-pentanone 19.19
    furfural 71.25
    n-dodecane 0.55
    diethylene glycol 133.02
    diisopropyl ether 4.11
    tert-amyl alcohol 29.38
    acetylacetone 63.63
    n-hexadecane 0.63
    acetophenone 19.78
    methyl propionate 28.82
    isopentyl acetate 6.11
    trichloroethylene 16.65
    n-nonanol 10.31
    cyclohexanol 45.53
    benzyl alcohol 29.34
    2-ethylhexanol 6.41
    isooctanol 9.64
    dipropyl ether 7.3
    1,2-dichlorobenzene 4.28
    ethyl lactate 19.11
    propylene carbonate 28.54
    n-methylformamide 130.96
    2-pentanol 26.56
    n-pentane 1.29
    1-propoxy-2-propanol 32.05
    1-methoxy-2-propyl acetate 19.79
    2-(2-methoxypropoxy) propanol 42.01
    mesitylene 4.37
    ε-caprolactone 47.01
    p-cymene 2.77
    epichlorohydrin 66.44
    1,1,1-trichloroethane 4.59
    2-aminoethanol 157.76
    morpholine-4-carbaldehyde 190.1
    sulfolane 169.06
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 46.22
    n-hexyl acetate 10.3
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 69.02
    sec-butyl acetate 6.0
    tert-butyl acetate 16.51
    decalin 1.07
    glycerin 200.06
    diglyme 115.28
    acrylic acid 62.39
    isopropyl myristate 4.45
    n-butyric acid 61.89
    acetyl acetate 21.11
    di(2-ethylhexyl) phthalate 8.97
    ethyl propionate 10.04
    nitromethane 171.98
    1,2-diethoxyethane 21.03
    benzonitrile 9.0
    trioctyl phosphate 6.42
    1-bromopropane 4.11
    gamma-valerolactone 145.82
    n-decanol 7.57
    triethyl phosphate 7.24
    4-methyl-2-pentanol 10.42
    propionitrile 8.11
    vinylene carbonate 25.02
    1,1,2-trichlorotrifluoroethane 96.67
    DMS 12.26
    cumene 2.77
    2-octanol 6.56
    2-hexanone 10.82
    octyl acetate 6.88
    limonene 4.75
    1,2-dimethoxyethane 122.2
    ethyl orthosilicate 7.33
    tributyl phosphate 6.13
    diacetone alcohol 55.96
    N,N-dimethylaniline 13.99
    acrylonitrile 14.5
    aniline 21.79
    1,3-propanediol 213.74
    bromobenzene 2.94
    dibromomethane 4.94
    1,1,2,2-tetrachloroethane 16.21
    2-methyl-cyclohexyl acetate 8.81
    tetrabutyl urea 12.14
    diisobutyl methanol 4.86
    2-phenylethanol 15.46
    styrene 4.14
    dioctyl adipate 9.81
    dimethyl sulfate 56.13
    ethyl butyrate 6.37
    methyl lactate 53.23
    butyl lactate 13.66
    diethyl carbonate 4.94
    propanediol butyl ether 51.85
    triethyl orthoformate 7.86
    p-tert-butyltoluene 3.0
    methyl 4-tert-butylbenzoate 22.6
    morpholine 155.44
    tert-butylamine 11.12
    n-dodecanol 5.63
    dimethoxymethane 135.35
    ethylene carbonate 21.75
    cyrene 61.24
    2-ethoxyethyl acetate 15.0
    2-ethylhexyl acetate 4.18
    1,2,4-trichlorobenzene 6.68
    4-methylpyridine 22.03
    dibutyl ether 6.05
    2,6-dimethyl-4-heptanol 4.86
    DEF 69.79
    dimethyl isosorbide 52.77
    tetrachloroethylene 13.33
    eugenol 25.31
    triacetin 20.28
    span 80 33.92
    1,4-butanediol 70.98
    1,1-dichloroethane 4.51
    2-methyl-1-pentanol 16.75
    methyl formate 89.73
    2-methyl-1-butanol 26.75
    n-decane 1.06
    butyronitrile 11.95
    3,7-dimethyl-1-octanol 8.28
    1-chlorooctane 2.74
    1-chlorotetradecane 1.32
    n-nonane 0.94
    undecane 0.73
    tert-butylcyclohexane 0.62
    cyclooctane 2.09
    cyclopentanol 47.97
    tetrahydropyran 48.72
    tert-amyl methyl ether 13.27
    2,5,8-trioxanonane 91.3
    1-hexene 2.04
    2-isopropoxyethanol 62.5
    2,2,2-trifluoroethanol 75.68
    methyl butyrate 14.21

    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