2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl hexopyranoside

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  • Identifiers

    CAS number
    114673-98-2

    Molecular formula
    C16H26O6

    SMILES
    CC1=CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.4%
    Spicy 37.74%
    Mint 37.33%
    Odorless 36.86%
    Cooling 27.82%
    Herbal 27.7%
    Woody 26.31%
    Warm 21.1%
    Citrus 20.25%
    Bitter 19.06%

     

    Flavor
    Bitter 53.49%
    Minty 28.18%
    Herbal 25.73%
    Fresh 23.7%
    Fatty 23.69%
    Sweet-like 22.29%
    Odorless 22.07%
    Cedarleaf 21.24%
    Mentholic 20.51%
    Green tea 20.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.1 (neutral)

    Molecular weight
    314.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    916°C

    Flash point

    • 187.07 ˚C est.

  • Synonyms

    • DTXSID601144948
    • 114673-98-2
    • 2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl hexopyranoside
    • (1R,5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl I(2)-D-glucopyranoside
    • 114673-98-2

  • Applications

    CAS 114673-98-2, 2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl hexopyranoside is a glycosylated terpenoid derivative that can function as an aroma-related intermediate; in practice it is commonly evaluated as a fragrance and flavor precursor, with the sugar moiety providing stability and enabling controlled release of the aglycone upon hydrolysis. It may also be employed in cosmetics/personal care as a fragrance ingredient, in household products to impart scent, and as an intermediate in industrial manufacturing as well as a reference standard in analytical workflows for glycoside/terpene quantification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.01
    methanol 141.1
    isopropanol 16.81
    water 6.79
    ethyl acetate 14.8
    n-propanol 20.97
    acetone 17.48
    n-butanol 26.96
    acetonitrile 7.4
    DMF 59.05
    toluene 4.95
    isobutanol 10.85
    1,4-dioxane 47.89
    methyl acetate 8.4
    THF 76.24
    2-butanone 8.7
    n-pentanol 8.61
    sec-butanol 10.44
    n-hexane 0.28
    ethylene glycol 59.2
    NMP 43.33
    cyclohexane 2.02
    DMSO 297.49
    n-butyl acetate 4.82
    n-octanol 7.23
    chloroform 6.36
    n-propyl acetate 4.7
    acetic acid 201.08
    dichloromethane 5.51
    cyclohexanone 26.03
    propylene glycol 48.13
    isopropyl acetate 10.34
    DMAc 86.41
    2-ethoxyethanol 83.06
    isopentanol 21.7
    n-heptane 0.78
    ethyl formate 11.6
    1,2-dichloroethane 6.56
    n-hexanol 10.55
    2-methoxyethanol 221.57
    isobutyl acetate 3.31
    tetrachloromethane 1.81
    n-pentyl acetate 6.43
    transcutol 253.88
    n-heptanol 10.55
    ethylbenzene 2.36
    MIBK 12.43
    2-propoxyethanol 55.7
    tert-butanol 25.19
    MTBE 6.31
    2-butoxyethanol 44.5
    propionic acid 24.35
    o-xylene 4.92
    formic acid 258.12
    diethyl ether 8.15
    m-xylene 5.77
    p-xylene 2.66
    chlorobenzene 3.2
    dimethyl carbonate 14.01
    n-octane 0.5
    formamide 244.69
    cyclopentanone 32.02
    2-pentanone 13.24
    anisole 7.66
    cyclopentyl methyl ether 22.36
    gamma-butyrolactone 41.71
    1-methoxy-2-propanol 117.3
    pyridine 18.26
    3-pentanone 7.55
    furfural 49.93
    n-dodecane 0.32
    diethylene glycol 105.68
    diisopropyl ether 2.86
    tert-amyl alcohol 15.92
    acetylacetone 36.46
    n-hexadecane 0.37
    acetophenone 12.63
    methyl propionate 13.7
    isopentyl acetate 6.7
    trichloroethylene 14.02
    n-nonanol 7.71
    cyclohexanol 21.54
    benzyl alcohol 17.91
    2-ethylhexanol 5.37
    isooctanol 8.94
    dipropyl ether 4.5
    1,2-dichlorobenzene 3.63
    ethyl lactate 13.42
    propylene carbonate 19.69
    n-methylformamide 42.86
    2-pentanol 13.19
    n-pentane 0.64
    1-propoxy-2-propanol 30.26
    1-methoxy-2-propyl acetate 21.46
    2-(2-methoxypropoxy) propanol 42.82
    mesitylene 3.95
    ε-caprolactone 25.89
    p-cymene 2.79
    epichlorohydrin 41.47
    1,1,1-trichloroethane 3.93
    2-aminoethanol 76.98
    morpholine-4-carbaldehyde 84.46
    sulfolane 88.18
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 21.35
    n-hexyl acetate 9.11
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 74.45
    sec-butyl acetate 3.97
    tert-butyl acetate 14.77
    decalin 0.65
    glycerin 130.65
    diglyme 116.35
    acrylic acid 37.71
    isopropyl myristate 4.13
    n-butyric acid 44.39
    acetyl acetate 15.72
    di(2-ethylhexyl) phthalate 8.62
    ethyl propionate 5.12
    nitromethane 113.75
    1,2-diethoxyethane 18.54
    benzonitrile 7.07
    trioctyl phosphate 6.19
    1-bromopropane 2.04
    gamma-valerolactone 73.36
    n-decanol 5.72
    triethyl phosphate 6.05
    4-methyl-2-pentanol 9.32
    propionitrile 3.83
    vinylene carbonate 17.46
    1,1,2-trichlorotrifluoroethane 80.42
    DMS 10.59
    cumene 2.01
    2-octanol 5.07
    2-hexanone 4.69
    octyl acetate 5.99
    limonene 3.88
    1,2-dimethoxyethane 55.94
    ethyl orthosilicate 6.15
    tributyl phosphate 5.71
    diacetone alcohol 48.53
    N,N-dimethylaniline 7.9
    acrylonitrile 7.98
    aniline 14.83
    1,3-propanediol 136.63
    bromobenzene 2.44
    dibromomethane 3.33
    1,1,2,2-tetrachloroethane 12.62
    2-methyl-cyclohexyl acetate 7.91
    tetrabutyl urea 9.2
    diisobutyl methanol 4.86
    2-phenylethanol 15.16
    styrene 2.27
    dioctyl adipate 9.19
    dimethyl sulfate 29.87
    ethyl butyrate 5.24
    methyl lactate 33.81
    butyl lactate 14.18
    diethyl carbonate 4.2
    propanediol butyl ether 49.68
    triethyl orthoformate 6.79
    p-tert-butyltoluene 3.1
    methyl 4-tert-butylbenzoate 23.48
    morpholine 63.14
    tert-butylamine 7.84
    n-dodecanol 4.09
    dimethoxymethane 55.92
    ethylene carbonate 14.43
    cyrene 44.99
    2-ethoxyethyl acetate 16.49
    2-ethylhexyl acetate 4.22
    1,2,4-trichlorobenzene 5.77
    4-methylpyridine 10.86
    dibutyl ether 3.8
    2,6-dimethyl-4-heptanol 4.86
    DEF 22.89
    dimethyl isosorbide 61.19
    tetrachloroethylene 12.36
    eugenol 26.8
    triacetin 19.03
    span 80 35.49
    1,4-butanediol 29.25
    1,1-dichloroethane 2.73
    2-methyl-1-pentanol 9.33
    methyl formate 35.05
    2-methyl-1-butanol 14.44
    n-decane 0.57
    butyronitrile 5.22
    3,7-dimethyl-1-octanol 7.64
    1-chlorooctane 2.0
    1-chlorotetradecane 0.92
    n-nonane 0.49
    undecane 0.41
    tert-butylcyclohexane 0.42
    cyclooctane 1.15
    cyclopentanol 19.33
    tetrahydropyran 19.74
    tert-amyl methyl ether 6.83
    2,5,8-trioxanonane 88.52
    1-hexene 0.8
    2-isopropoxyethanol 36.08
    2,2,2-trifluoroethanol 54.46
    methyl butyrate 7.21

    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