Muscomin

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  • Identifiers

    CAS number
    96910-98-4

    Molecular formula
    C18H18O7

    SMILES
    COC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC=C(C=C3)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.8%
    Spicy 51.09%
    Vanilla 38.88%
    Smoky 37.88%
    Odorless 37.57%
    Sweet 33.09%
    Balsamic 32.73%
    Burnt 30.66%
    Woody 27.36%
    Medicinal 23.89%

     

    Flavor
    Bitter 79.65%
    Bland 26.91%
    Odorless 22.24%
    Parsley 21.62%
    Eugenol 21.26%
    Sweet-like 20.83%
    Cedarleaf 20.22%
    Lovage 20.19%
    Ham 19.61%
    Allspice 19.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.94 (weak base)

    Molecular weight
    346.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    918°C

    Melting point expt.

    • 144.7 °C

    Flash point

    • 220.96 ˚C est.

  • Synonyms

    • Muscomin
    • 5,8-dihydroxy-3-((4-hydroxyphenyl)methyl)-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • RefChem:926258
    • 3-(4-hydroxybenzyl)-5,8-dihydroxy-6,7-dimethoxychroman-4-one
    • 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydrochromen-4-one
    • 96910-98-4
    • CHEBI:168876
    • DTXSID601118759
    • 5,8-Dihydroxy-3-(4-hydroxybenzyl)-6,7-dimethoxy-4-chromanone
    • (-)-2,3-Dihydro-5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-4H-1-benzopyran-4-one
    • 5,8-Dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 96910-98-4

  • Applications

    Muscomin (CAS 96910-98-4) is commonly evaluated for use as an odorant and fragrance fixative in perfumery, where it can contribute musk-like notes; it is often considered a fragrance ingredient in cosmetics and personal care products, such as creams and scented lotions; it may be added to household cleaning products and air fresheners to impart a distinctive aroma; it can act as an odorant in coatings, inks, or polymer formulations to provide a lasting scent; and, where appropriate and compliant with regulations, it is explored as an additive in polymers/plastics or coatings/inks to enhance the fragrance profile. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.66
    methanol 3.57
    isopropanol 3.42
    water 0.01
    ethyl acetate 13.88
    n-propanol 3.79
    acetone 29.02
    n-butanol 3.32
    acetonitrile 9.95
    DMF 41.91
    toluene 2.84
    isobutanol 2.87
    1,4-dioxane 24.1
    methyl acetate 15.64
    THF 110.08
    2-butanone 19.45
    n-pentanol 3.42
    sec-butanol 2.95
    n-hexane 0.13
    ethylene glycol 4.1
    NMP 45.13
    cyclohexane 0.31
    DMSO 165.53
    n-butyl acetate 7.07
    n-octanol 3.48
    chloroform 10.14
    n-propyl acetate 7.92
    acetic acid 19.68
    dichloromethane 12.36
    cyclohexanone 28.66
    propylene glycol 2.38
    isopropyl acetate 8.89
    DMAc 64.48
    2-ethoxyethanol 16.51
    isopentanol 4.1
    n-heptane 0.3
    ethyl formate 9.34
    1,2-dichloroethane 14.17
    n-hexanol 3.93
    2-methoxyethanol 29.62
    isobutyl acetate 4.76
    tetrachloromethane 1.93
    n-pentyl acetate 6.37
    transcutol 19.99
    n-heptanol 3.86
    ethylbenzene 1.76
    MIBK 8.54
    2-propoxyethanol 20.21
    tert-butanol 7.71
    MTBE 4.76
    2-butoxyethanol 13.06
    propionic acid 7.32
    o-xylene 2.61
    formic acid 11.98
    diethyl ether 4.91
    m-xylene 2.2
    p-xylene 2.44
    chlorobenzene 4.52
    dimethyl carbonate 16.96
    n-octane 0.22
    formamide 22.66
    cyclopentanone 57.1
    2-pentanone 14.38
    anisole 5.38
    cyclopentyl methyl ether 13.0
    gamma-butyrolactone 61.52
    1-methoxy-2-propanol 17.67
    pyridine 16.99
    3-pentanone 11.39
    furfural 36.78
    n-dodecane 0.28
    diethylene glycol 25.26
    diisopropyl ether 1.68
    tert-amyl alcohol 5.09
    acetylacetone 31.31
    n-hexadecane 0.33
    acetophenone 9.98
    methyl propionate 15.07
    isopentyl acetate 7.33
    trichloroethylene 27.76
    n-nonanol 3.93
    cyclohexanol 5.06
    benzyl alcohol 6.62
    2-ethylhexanol 3.4
    isooctanol 3.59
    dipropyl ether 4.14
    1,2-dichlorobenzene 5.45
    ethyl lactate 7.33
    propylene carbonate 18.13
    n-methylformamide 17.2
    2-pentanol 2.28
    n-pentane 0.13
    1-propoxy-2-propanol 12.16
    1-methoxy-2-propyl acetate 13.94
    2-(2-methoxypropoxy) propanol 13.01
    mesitylene 1.45
    ε-caprolactone 20.88
    p-cymene 2.35
    epichlorohydrin 62.29
    1,1,1-trichloroethane 8.93
    2-aminoethanol 4.41
    morpholine-4-carbaldehyde 38.15
    sulfolane 91.28
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 21.29
    n-hexyl acetate 7.64
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 15.5
    sec-butyl acetate 4.97
    tert-butyl acetate 10.36
    decalin 0.31
    glycerin 11.27
    diglyme 31.02
    acrylic acid 10.66
    isopropyl myristate 4.07
    n-butyric acid 8.78
    acetyl acetate 13.91
    di(2-ethylhexyl) phthalate 5.13
    ethyl propionate 8.2
    nitromethane 58.63
    1,2-diethoxyethane 8.56
    benzonitrile 8.24
    trioctyl phosphate 4.54
    1-bromopropane 3.71
    gamma-valerolactone 56.27
    n-decanol 3.11
    triethyl phosphate 6.37
    4-methyl-2-pentanol 2.36
    propionitrile 8.75
    vinylene carbonate 15.24
    1,1,2-trichlorotrifluoroethane 40.96
    DMS 10.84
    cumene 1.44
    2-octanol 2.49
    2-hexanone 9.36
    octyl acetate 5.48
    limonene 2.86
    1,2-dimethoxyethane 29.08
    ethyl orthosilicate 5.5
    tributyl phosphate 4.62
    diacetone alcohol 18.27
    N,N-dimethylaniline 4.46
    acrylonitrile 14.41
    aniline 5.82
    1,3-propanediol 8.71
    bromobenzene 3.98
    dibromomethane 6.37
    1,1,2,2-tetrachloroethane 21.23
    2-methyl-cyclohexyl acetate 7.48
    tetrabutyl urea 7.7
    diisobutyl methanol 2.55
    2-phenylethanol 8.36
    styrene 1.86
    dioctyl adipate 6.85
    dimethyl sulfate 36.4
    ethyl butyrate 6.9
    methyl lactate 12.86
    butyl lactate 6.57
    diethyl carbonate 5.96
    propanediol butyl ether 8.59
    triethyl orthoformate 6.21
    p-tert-butyltoluene 2.13
    methyl 4-tert-butylbenzoate 12.09
    morpholine 25.17
    tert-butylamine 2.39
    n-dodecanol 2.42
    dimethoxymethane 34.09
    ethylene carbonate 13.74
    cyrene 19.38
    2-ethoxyethyl acetate 11.39
    2-ethylhexyl acetate 5.53
    1,2,4-trichlorobenzene 7.89
    4-methylpyridine 11.97
    dibutyl ether 3.58
    2,6-dimethyl-4-heptanol 2.55
    DEF 16.14
    dimethyl isosorbide 26.07
    tetrachloroethylene 14.58
    eugenol 11.71
    triacetin 11.48
    span 80 9.01
    1,4-butanediol 3.79
    1,1-dichloroethane 7.14
    2-methyl-1-pentanol 3.7
    methyl formate 19.87
    2-methyl-1-butanol 3.37
    n-decane 0.43
    butyronitrile 5.91
    3,7-dimethyl-1-octanol 3.6
    1-chlorooctane 2.04
    1-chlorotetradecane 1.06
    n-nonane 0.33
    undecane 0.34
    tert-butylcyclohexane 0.24
    cyclooctane 0.18
    cyclopentanol 8.65
    tetrahydropyran 14.02
    tert-amyl methyl ether 4.46
    2,5,8-trioxanonane 24.82
    1-hexene 0.66
    2-isopropoxyethanol 10.8
    2,2,2-trifluoroethanol 12.97
    methyl butyrate 10.34

    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