Myzodendrone

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  • Identifiers

    CAS number
    101705-37-7

    Molecular formula
    C16H22O8

    SMILES
    CC(=O)CCC1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.23%
    Vanilla 49.0%
    Sweet 42.39%
    Creamy 29.57%
    Milky 29.56%
    Spicy 25.35%
    Savory 22.87%
    Caramellic 22.72%
    Balsamic 22.49%
    Dairy 20.52%

     

    Flavor
    Bitter 59.21%
    Sweet 48.25%
    Odorless 34.61%
    Sweet-like 26.64%
    Vanilla 26.31%
    Bland 24.82%
    Mild 22.8%
    Eugenol 20.95%
    Very slight 20.82%
    Cauliflower 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.83 (neutral)

    Molecular weight
    342.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1709°C

    Flash point

    • 244.77 ˚C est.

  • Synonyms

    • Myzodendrone
    • 101705-37-7
    • 2-Butanone, 4-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-
    • 4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
    • 2-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-
    • DTXSID60144131
    • 4-(4-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)butan-2-one
    • RefChem:926341
    • DTXCID4066622
    • orb1682057
    • SCHEMBL8976232
    • CS-0149163
    • F92745
    • 2-Hydroxy-5-(3-oxobutyl)phenyl beta-D-glucopyranoside
    • 2-Butanone, 4-[3-(|A-D-glucopyranosyloxy)-4-hydroxyphenyl]-
    • 4-(4-Hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one
    • 4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]butan-2-one
    • 101705-37-7

  • Applications

    Myzodendrone, CAS 101705-37-7, is considered an intermediate in organic synthesis and is evaluated for practical applications across several industries, notably as a fragrance/odorant component in perfumery and personal care products; it may also serve as an aroma ingredient in household and cleaning products; additionally, it can be used or evaluated as an additive in coatings, inks, and polymer formulations, with use depending on regulatory requirements and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.08
    methanol 173.34
    isopropanol 21.29
    water 40.62
    ethyl acetate 10.61
    n-propanol 23.61
    acetone 53.38
    n-butanol 23.17
    acetonitrile 13.32
    DMF 211.9
    toluene 1.85
    isobutanol 6.41
    1,4-dioxane 45.4
    methyl acetate 8.11
    THF 77.65
    2-butanone 12.42
    n-pentanol 5.55
    sec-butanol 10.7
    n-hexane 0.17
    ethylene glycol 271.78
    NMP 93.46
    cyclohexane 1.31
    DMSO 1322.35
    n-butyl acetate 1.28
    n-octanol 4.19
    chloroform 1.0
    n-propyl acetate 2.04
    acetic acid 278.06
    dichloromethane 1.12
    cyclohexanone 20.7
    propylene glycol 142.79
    isopropyl acetate 5.25
    DMAc 205.3
    2-ethoxyethanol 130.75
    isopentanol 9.84
    n-heptane 0.6
    ethyl formate 12.71
    1,2-dichloroethane 2.31
    n-hexanol 4.27
    2-methoxyethanol 407.38
    isobutyl acetate 0.9
    tetrachloromethane 0.46
    n-pentyl acetate 2.4
    transcutol 121.61
    n-heptanol 5.01
    ethylbenzene 0.78
    MIBK 6.11
    2-propoxyethanol 41.28
    tert-butanol 23.1
    MTBE 3.58
    2-butoxyethanol 22.53
    propionic acid 29.78
    o-xylene 1.88
    formic acid 709.11
    diethyl ether 5.87
    m-xylene 1.45
    p-xylene 0.84
    chlorobenzene 0.62
    dimethyl carbonate 19.72
    n-octane 0.44
    formamide 699.32
    cyclopentanone 38.14
    2-pentanone 14.19
    anisole 3.44
    cyclopentyl methyl ether 13.46
    gamma-butyrolactone 46.0
    1-methoxy-2-propanol 161.02
    pyridine 11.65
    3-pentanone 7.41
    furfural 39.7
    n-dodecane 0.31
    diethylene glycol 127.58
    diisopropyl ether 1.44
    tert-amyl alcohol 12.68
    acetylacetone 41.13
    n-hexadecane 0.34
    acetophenone 5.56
    methyl propionate 13.31
    isopentyl acetate 1.53
    trichloroethylene 3.44
    n-nonanol 4.43
    cyclohexanol 16.63
    benzyl alcohol 8.81
    2-ethylhexanol 2.01
    isooctanol 3.7
    dipropyl ether 3.47
    1,2-dichlorobenzene 0.77
    ethyl lactate 11.12
    propylene carbonate 12.23
    n-methylformamide 132.14
    2-pentanol 8.59
    n-pentane 0.37
    1-propoxy-2-propanol 19.95
    1-methoxy-2-propyl acetate 8.98
    2-(2-methoxypropoxy) propanol 26.52
    mesitylene 1.09
    ε-caprolactone 16.07
    p-cymene 0.84
    epichlorohydrin 29.08
    1,1,1-trichloroethane 0.9
    2-aminoethanol 207.69
    morpholine-4-carbaldehyde 125.65
    sulfolane 138.33
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 15.58
    n-hexyl acetate 3.69
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 40.26
    sec-butyl acetate 1.31
    tert-butyl acetate 6.2
    decalin 0.25
    glycerin 350.22
    diglyme 68.51
    acrylic acid 49.28
    isopropyl myristate 2.02
    n-butyric acid 31.31
    acetyl acetate 9.81
    di(2-ethylhexyl) phthalate 3.66
    ethyl propionate 2.65
    nitromethane 243.35
    1,2-diethoxyethane 9.34
    benzonitrile 2.61
    trioctyl phosphate 3.11
    1-bromopropane 0.84
    gamma-valerolactone 89.52
    n-decanol 3.64
    triethyl phosphate 2.75
    4-methyl-2-pentanol 3.47
    propionitrile 4.32
    vinylene carbonate 10.53
    1,1,2-trichlorotrifluoroethane 73.55
    DMS 5.9
    cumene 0.59
    2-octanol 2.66
    2-hexanone 2.77
    octyl acetate 3.18
    limonene 1.44
    1,2-dimethoxyethane 59.77
    ethyl orthosilicate 2.61
    tributyl phosphate 2.94
    diacetone alcohol 34.68
    N,N-dimethylaniline 3.72
    acrylonitrile 8.84
    aniline 6.78
    1,3-propanediol 220.63
    bromobenzene 0.42
    dibromomethane 0.69
    1,1,2,2-tetrachloroethane 4.08
    2-methyl-cyclohexyl acetate 2.62
    tetrabutyl urea 6.19
    diisobutyl methanol 1.93
    2-phenylethanol 5.51
    styrene 0.78
    dioctyl adipate 4.65
    dimethyl sulfate 44.87
    ethyl butyrate 1.96
    methyl lactate 52.16
    butyl lactate 6.68
    diethyl carbonate 1.82
    propanediol butyl ether 29.38
    triethyl orthoformate 2.97
    p-tert-butyltoluene 0.93
    methyl 4-tert-butylbenzoate 11.0
    morpholine 68.65
    tert-butylamine 4.61
    n-dodecanol 2.93
    dimethoxymethane 96.32
    ethylene carbonate 9.06
    cyrene 35.57
    2-ethoxyethyl acetate 6.57
    2-ethylhexyl acetate 1.0
    1,2,4-trichlorobenzene 1.31
    4-methylpyridine 5.73
    dibutyl ether 2.52
    2,6-dimethyl-4-heptanol 1.93
    DEF 30.15
    dimethyl isosorbide 31.01
    tetrachloroethylene 3.6
    eugenol 13.39
    triacetin 10.47
    span 80 20.48
    1,4-butanediol 52.14
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 3.85
    methyl formate 89.33
    2-methyl-1-butanol 7.5
    n-decane 0.54
    butyronitrile 4.48
    3,7-dimethyl-1-octanol 3.15
    1-chlorooctane 1.08
    1-chlorotetradecane 0.6
    n-nonane 0.49
    undecane 0.4
    tert-butylcyclohexane 0.14
    cyclooctane 0.62
    cyclopentanol 21.33
    tetrahydropyran 15.05
    tert-amyl methyl ether 4.28
    2,5,8-trioxanonane 57.65
    1-hexene 0.47
    2-isopropoxyethanol 34.18
    2,2,2-trifluoroethanol 83.22
    methyl butyrate 3.91

    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