Melianoninol

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  • Identifiers

    CAS number
    136880-81-4

    Molecular formula
    C20H20O6

    SMILES
    COC1=CC2=C(C=C1)O[C@H]([C@H]2CO)C3=C(C=C(C(=C3)O)/C=C/C=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 61.33%
    Sweet 57.18%
    Spicy 43.14%
    Creamy 34.32%
    Balsamic 31.53%
    Floral 31.51%
    Odorless 30.34%
    Powdery 30.32%
    Milky 26.18%
    Warm 24.19%

     

    Flavor
    Bitter 86.36%
    Odorless 23.83%
    Bland 23.09%
    Sweet-like 19.99%
    Parsley 19.87%
    Lovage 19.45%
    Ethyl benzoate 19.09%
    Cedarleaf 18.9%
    Heather 18.3%
    Orange flower 18.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.11 (neutral)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1376°C

    Flash point

    • 234.63 ˚C est.

  • Synonyms

    • Melianoninol
    • 136880-81-4
    • (2R-(2alpha(E),3alpha))-3-(4-(2,3-Dihydro-3-(hydroxymethyl)-5-methoxy-2-benzofuranyl)-2-hydroxy-5-methoxyphenyl)-2-propenal
    • (E)-3-[2-hydroxy-4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenyl]prop-2-enal
    • 2-Propenal, 3-(4-(2,3-dihydro-3-(hydroxymethyl)-5-methoxy-2-benzofuranyl)-2-hydroxy-5-methoxyphenyl)-, (2R-(2alpha(E),3alpha))-
    • 136880-81-4

  • Applications

    Melianoninol (CAS 136880-81-4) is used primarily as an intermediate in organic synthesis and as a processing aid in formulated products. It can function as a fragrance component or odorant in perfumery and cosmetics, and as a solvent or carrier in cleaning products and other consumer formulations. In coatings and inks, it may act as a solvent or diluent to tune formulation properties. In polymer formulations, it is sometimes evaluated as a stabilizer or processing aid. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.7
    methanol 9.88
    isopropanol 5.93
    water 0.15
    ethyl acetate 22.32
    n-propanol 6.61
    acetone 51.17
    n-butanol 4.54
    acetonitrile 33.11
    DMF 64.64
    toluene 2.43
    isobutanol 3.48
    1,4-dioxane 46.88
    methyl acetate 29.89
    THF 138.79
    2-butanone 28.17
    n-pentanol 3.96
    sec-butanol 3.59
    n-hexane 0.07
    ethylene glycol 10.68
    NMP 40.26
    cyclohexane 0.31
    DMSO 245.07
    n-butyl acetate 6.12
    n-octanol 3.92
    chloroform 41.63
    n-propyl acetate 11.4
    acetic acid 77.33
    dichloromethane 41.46
    cyclohexanone 35.31
    propylene glycol 7.5
    isopropyl acetate 12.19
    DMAc 132.71
    2-ethoxyethanol 37.01
    isopentanol 4.5
    n-heptane 0.17
    ethyl formate 15.93
    1,2-dichloroethane 26.42
    n-hexanol 2.83
    2-methoxyethanol 60.05
    isobutyl acetate 6.66
    tetrachloromethane 2.42
    n-pentyl acetate 6.85
    transcutol 56.78
    n-heptanol 3.8
    ethylbenzene 1.77
    MIBK 8.7
    2-propoxyethanol 28.76
    tert-butanol 8.16
    MTBE 3.68
    2-butoxyethanol 17.08
    propionic acid 19.66
    o-xylene 1.89
    formic acid 39.96
    diethyl ether 5.62
    m-xylene 1.44
    p-xylene 2.54
    chlorobenzene 5.97
    dimethyl carbonate 31.59
    n-octane 0.16
    formamide 71.64
    cyclopentanone 63.92
    2-pentanone 15.06
    anisole 11.39
    cyclopentyl methyl ether 12.98
    gamma-butyrolactone 73.62
    1-methoxy-2-propanol 32.58
    pyridine 33.75
    3-pentanone 13.24
    furfural 47.07
    n-dodecane 0.22
    diethylene glycol 37.01
    diisopropyl ether 1.41
    tert-amyl alcohol 4.48
    acetylacetone 40.44
    n-hexadecane 0.27
    acetophenone 15.66
    methyl propionate 22.79
    isopentyl acetate 7.26
    trichloroethylene 64.59
    n-nonanol 4.64
    cyclohexanol 6.08
    benzyl alcohol 12.86
    2-ethylhexanol 2.65
    isooctanol 3.62
    dipropyl ether 4.7
    1,2-dichlorobenzene 7.31
    ethyl lactate 12.28
    propylene carbonate 23.35
    n-methylformamide 35.74
    2-pentanol 2.57
    n-pentane 0.05
    1-propoxy-2-propanol 15.17
    1-methoxy-2-propyl acetate 17.8
    2-(2-methoxypropoxy) propanol 21.12
    mesitylene 1.03
    ε-caprolactone 26.11
    p-cymene 1.52
    epichlorohydrin 95.28
    1,1,1-trichloroethane 13.05
    2-aminoethanol 11.39
    morpholine-4-carbaldehyde 63.52
    sulfolane 80.59
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 23.02
    n-hexyl acetate 8.89
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 25.32
    sec-butyl acetate 6.73
    tert-butyl acetate 11.87
    decalin 0.25
    glycerin 25.96
    diglyme 52.84
    acrylic acid 28.92
    isopropyl myristate 4.92
    n-butyric acid 18.56
    acetyl acetate 26.77
    di(2-ethylhexyl) phthalate 6.56
    ethyl propionate 12.63
    nitromethane 176.44
    1,2-diethoxyethane 14.97
    benzonitrile 12.01
    trioctyl phosphate 4.72
    1-bromopropane 4.65
    gamma-valerolactone 80.5
    n-decanol 3.49
    triethyl phosphate 7.88
    4-methyl-2-pentanol 2.24
    propionitrile 18.14
    vinylene carbonate 26.55
    1,1,2-trichlorotrifluoroethane 72.54
    DMS 15.17
    cumene 1.21
    2-octanol 2.31
    2-hexanone 10.64
    octyl acetate 6.2
    limonene 1.83
    1,2-dimethoxyethane 50.79
    ethyl orthosilicate 6.92
    tributyl phosphate 5.59
    diacetone alcohol 20.21
    N,N-dimethylaniline 7.06
    acrylonitrile 33.38
    aniline 8.88
    1,3-propanediol 18.81
    bromobenzene 5.25
    dibromomethane 16.25
    1,1,2,2-tetrachloroethane 42.32
    2-methyl-cyclohexyl acetate 9.19
    tetrabutyl urea 9.27
    diisobutyl methanol 2.04
    2-phenylethanol 9.66
    styrene 2.4
    dioctyl adipate 9.34
    dimethyl sulfate 49.31
    ethyl butyrate 8.28
    methyl lactate 22.93
    butyl lactate 8.38
    diethyl carbonate 8.56
    propanediol butyl ether 12.77
    triethyl orthoformate 8.8
    p-tert-butyltoluene 1.28
    methyl 4-tert-butylbenzoate 14.28
    morpholine 50.69
    tert-butylamine 2.06
    n-dodecanol 2.7
    dimethoxymethane 56.7
    ethylene carbonate 23.06
    cyrene 27.79
    2-ethoxyethyl acetate 15.87
    2-ethylhexyl acetate 5.32
    1,2,4-trichlorobenzene 11.71
    4-methylpyridine 15.71
    dibutyl ether 4.94
    2,6-dimethyl-4-heptanol 2.04
    DEF 23.3
    dimethyl isosorbide 34.31
    tetrachloroethylene 21.83
    eugenol 16.64
    triacetin 18.55
    span 80 12.8
    1,4-butanediol 8.59
    1,1-dichloroethane 14.94
    2-methyl-1-pentanol 3.82
    methyl formate 35.93
    2-methyl-1-butanol 3.46
    n-decane 0.39
    butyronitrile 10.1
    3,7-dimethyl-1-octanol 3.84
    1-chlorooctane 2.01
    1-chlorotetradecane 0.95
    n-nonane 0.29
    undecane 0.28
    tert-butylcyclohexane 0.15
    cyclooctane 0.11
    cyclopentanol 9.96
    tetrahydropyran 22.35
    tert-amyl methyl ether 3.12
    2,5,8-trioxanonane 41.45
    1-hexene 0.49
    2-isopropoxyethanol 20.16
    2,2,2-trifluoroethanol 32.53
    methyl butyrate 14.25

    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