Melledonol

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  • Identifiers

    CAS number
    103847-14-9

    Molecular formula
    C23H30O8

    SMILES
    CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)CO)O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.63%
    Sweet 36.19%
    Woody 28.05%
    Balsamic 27.67%
    Cooling 26.31%
    Spicy 23.96%
    Mint 22.58%
    Phenolic 21.75%
    Dry 20.01%
    Clean 19.97%

     

    Flavor
    Bitter 86.57%
    Odorless 31.32%
    Bland 29.86%
    Sweet-like 24.53%
    Cedarleaf 21.19%
    Parsley 19.79%
    Ripe apricot 19.53%
    Red fruit 19.47%
    Patchouli 19.24%
    Lovage 19.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.92 (neutral)

    Molecular weight
    434.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1985°C

    Flash point

    • 264.34 ˚C est.

  • Synonyms

    • melledonol
    • CHEMBL1078390
    • CHEBI:168279
    • DTXSID101098910
    • 103847-14-9
    • [(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
    • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
    • 103847-14-9

  • Applications

    Melledonol (CAS 103847-14-9) is typically regarded as an intermediate and odor-related ingredient in industrial and consumer formulations. In perfumery and fragrance, it may function as an odorant or fixative component. In cosmetics and personal care, as well as household products, it can be used as a solvent or processing aid during formulation and blending. In polymers/plastics and coatings/inks, it may serve as a plasticizer or processing aid to support manufacturing and system stability. In industrial manufacturing, it can be viewed as a chemical intermediate or formulation helper. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.27
    methanol 88.58
    isopropanol 4.21
    water 0.12
    ethyl acetate 4.47
    n-propanol 9.45
    acetone 13.39
    n-butanol 5.17
    acetonitrile 4.91
    DMF 124.95
    toluene 0.58
    isobutanol 3.41
    1,4-dioxane 10.88
    methyl acetate 5.04
    THF 54.32
    2-butanone 8.45
    n-pentanol 3.47
    sec-butanol 2.67
    n-hexane 0.07
    ethylene glycol 17.14
    NMP 65.08
    cyclohexane 0.04
    DMSO 184.6
    n-butyl acetate 2.82
    n-octanol 1.87
    chloroform 5.86
    n-propyl acetate 2.77
    acetic acid 31.48
    dichloromethane 5.98
    cyclohexanone 9.6
    propylene glycol 19.68
    isopropyl acetate 2.47
    DMAc 54.56
    2-ethoxyethanol 28.28
    isopentanol 2.73
    n-heptane 0.08
    ethyl formate 6.79
    1,2-dichloroethane 3.41
    n-hexanol 3.65
    2-methoxyethanol 92.98
    isobutyl acetate 1.42
    tetrachloromethane 0.52
    n-pentyl acetate 3.09
    transcutol 18.82
    n-heptanol 2.92
    ethylbenzene 0.37
    MIBK 3.81
    2-propoxyethanol 35.87
    tert-butanol 2.81
    MTBE 1.01
    2-butoxyethanol 16.45
    propionic acid 8.86
    o-xylene 0.39
    formic acid 59.88
    diethyl ether 2.55
    m-xylene 0.54
    p-xylene 0.38
    chlorobenzene 0.82
    dimethyl carbonate 9.23
    n-octane 0.04
    formamide 63.4
    cyclopentanone 29.35
    2-pentanone 7.29
    anisole 1.99
    cyclopentyl methyl ether 5.18
    gamma-butyrolactone 38.63
    1-methoxy-2-propanol 48.4
    pyridine 7.55
    3-pentanone 3.96
    furfural 27.37
    n-dodecane 0.02
    diethylene glycol 41.3
    diisopropyl ether 0.35
    tert-amyl alcohol 2.11
    acetylacetone 12.43
    n-hexadecane 0.02
    acetophenone 3.54
    methyl propionate 8.26
    isopentyl acetate 2.24
    trichloroethylene 9.5
    n-nonanol 1.8
    cyclohexanol 1.67
    benzyl alcohol 3.86
    2-ethylhexanol 1.34
    isooctanol 1.92
    dipropyl ether 1.77
    1,2-dichlorobenzene 0.96
    ethyl lactate 6.11
    propylene carbonate 9.79
    n-methylformamide 65.21
    2-pentanol 1.78
    n-pentane 0.07
    1-propoxy-2-propanol 14.96
    1-methoxy-2-propyl acetate 9.28
    2-(2-methoxypropoxy) propanol 9.58
    mesitylene 0.28
    ε-caprolactone 9.63
    p-cymene 0.37
    epichlorohydrin 38.86
    1,1,1-trichloroethane 1.31
    2-aminoethanol 29.01
    morpholine-4-carbaldehyde 53.42
    sulfolane 70.39
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.83
    n-hexyl acetate 3.54
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 13.2
    sec-butyl acetate 1.3
    tert-butyl acetate 3.0
    decalin 0.04
    glycerin 54.05
    diglyme 23.62
    acrylic acid 14.48
    isopropyl myristate 0.81
    n-butyric acid 9.48
    acetyl acetate 3.28
    di(2-ethylhexyl) phthalate 2.25
    ethyl propionate 2.96
    nitromethane 68.29
    1,2-diethoxyethane 3.05
    benzonitrile 2.2
    trioctyl phosphate 1.7
    1-bromopropane 1.21
    gamma-valerolactone 59.22
    n-decanol 1.0
    triethyl phosphate 1.53
    4-methyl-2-pentanol 1.15
    propionitrile 3.93
    vinylene carbonate 10.19
    1,1,2-trichlorotrifluoroethane 43.25
    DMS 3.71
    cumene 0.27
    2-octanol 1.22
    2-hexanone 3.73
    octyl acetate 1.57
    limonene 0.5
    1,2-dimethoxyethane 26.46
    ethyl orthosilicate 1.27
    tributyl phosphate 1.4
    diacetone alcohol 11.63
    N,N-dimethylaniline 1.58
    acrylonitrile 8.99
    aniline 1.88
    1,3-propanediol 25.27
    bromobenzene 0.62
    dibromomethane 2.51
    1,1,2,2-tetrachloroethane 6.52
    2-methyl-cyclohexyl acetate 2.17
    tetrabutyl urea 2.45
    diisobutyl methanol 0.7
    2-phenylethanol 4.38
    styrene 0.37
    dioctyl adipate 2.01
    dimethyl sulfate 23.62
    ethyl butyrate 2.17
    methyl lactate 20.36
    butyl lactate 6.05
    diethyl carbonate 1.37
    propanediol butyl ether 13.48
    triethyl orthoformate 1.86
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 6.04
    morpholine 20.9
    tert-butylamine 0.66
    n-dodecanol 0.53
    dimethoxymethane 61.66
    ethylene carbonate 6.54
    cyrene 19.64
    2-ethoxyethyl acetate 6.69
    2-ethylhexyl acetate 1.5
    1,2,4-trichlorobenzene 1.43
    4-methylpyridine 4.23
    dibutyl ether 0.72
    2,6-dimethyl-4-heptanol 0.7
    DEF 10.37
    dimethyl isosorbide 17.67
    tetrachloroethylene 4.3
    eugenol 8.8
    triacetin 5.54
    span 80 8.21
    1,4-butanediol 7.87
    1,1-dichloroethane 1.57
    2-methyl-1-pentanol 1.99
    methyl formate 40.38
    2-methyl-1-butanol 2.76
    n-decane 0.05
    butyronitrile 3.13
    3,7-dimethyl-1-octanol 1.23
    1-chlorooctane 0.39
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 4.11
    tetrahydropyran 3.9
    tert-amyl methyl ether 1.23
    2,5,8-trioxanonane 14.61
    1-hexene 0.33
    2-isopropoxyethanol 10.21
    2,2,2-trifluoroethanol 12.03
    methyl butyrate 4.24

    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