Mesuagin

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  • Identifiers

    CAS number
    21721-08-4

    Molecular formula
    C24H22O5

    SMILES
    CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 51.16%
    Sweet 32.79%
    Floral 31.7%
    Berry 28.42%
    Powdery 26.84%
    Dry 26.04%
    Animal 25.15%
    Grape 24.9%
    Phenolic 23.7%
    Musk 23.68%

     

    Flavor
    Bitter 92.46%
    Odorless 19.91%
    Cedarleaf 19.64%
    Parsley 19.06%
    Lovage 18.91%
    Bland 18.52%
    Broom 18.37%
    Heather 18.33%
    Ripe apricot 18.22%
    Red fruit 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.41 (neutral)

    Molecular weight
    390.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    853°C

    Melting point expt.

    • 152 - 153 °C

    Flash point

    • 234.79 ˚C est.

  • Synonyms

    • Mesuagin
    • 21721-08-4
    • CHEMBL198546
    • 5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin
    • 5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-phenyl-8H-pyrano[2,3-f]chromen-2-one
    • mammea A/ADcyclo D
    • Mammea A/AD cyclo D
    • XC74W77RWH
    • orb1984140
    • CHEBI:166644
    • DTXSID901117043
    • HY-N9650
    • BDBM50172753
    • LMPK12100030
    • AKOS040763702
    • 5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
    • 5-hydroxy-6-isobutyryl-8,8-dimethyl-4-phenyl-2h-pyrano[2,3-h]chromen-2-one
    • 5-Hydroxy-6-Isobutyryl-8,8-Dimethyl-4-Phenylpyrano[2,3-F]Chromen-2(8H)-One
    • 5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenyl-pyrano[2,3-h]chromen-2-one
    • 8,8-DIMETHYL-6-(2-METHYLPROPANOYL)-5-OXIDANYL-4-PHENYL-PYRANO(2,3-H)CHROMEN-2-ONE
    • 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 5-hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-phenyl-
    • 5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 8CI
    • 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
    • 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI
    • 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-2-one
    • 5-Hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
    • NCGC00384858-01!5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
    • 21721-08-4

  • Applications

    Mesuagin (CAS 21721-08-4) is an organic compound that may find use across several industrial and fragrance-related applications. In perfumery and fragrance, it can serve as an odorant component and, in cosmetics/personal care formulations, as a fragrance ingredient. In coatings and inks, it may function as a solvent or carrier for formulation components. In industrial manufacturing, it can act as an intermediate or processing solvent for chemical syntheses and formulation steps. In cleaning applications, it may serve as a solvent or processing additive. Applications may be further explored depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.26
    methanol 11.39
    isopropanol 8.11
    water 0.01
    ethyl acetate 28.96
    n-propanol 13.5
    acetone 47.97
    n-butanol 11.36
    acetonitrile 19.79
    DMF 175.5
    toluene 25.4
    isobutanol 11.36
    1,4-dioxane 51.24
    methyl acetate 43.62
    THF 152.12
    2-butanone 54.79
    n-pentanol 9.71
    sec-butanol 9.77
    n-hexane 0.39
    ethylene glycol 7.27
    NMP 311.17
    cyclohexane 0.88
    DMSO 118.45
    n-butyl acetate 27.02
    n-octanol 5.14
    chloroform 131.51
    n-propyl acetate 23.79
    acetic acid 56.26
    dichloromethane 115.35
    cyclohexanone 101.29
    propylene glycol 11.86
    isopropyl acetate 21.3
    DMAc 238.24
    2-ethoxyethanol 26.54
    isopentanol 11.89
    n-heptane 0.33
    ethyl formate 24.48
    1,2-dichloroethane 75.03
    n-hexanol 9.34
    2-methoxyethanol 54.13
    isobutyl acetate 20.41
    tetrachloromethane 6.54
    n-pentyl acetate 21.27
    transcutol 75.8
    n-heptanol 6.94
    ethylbenzene 9.01
    MIBK 24.71
    2-propoxyethanol 47.76
    tert-butanol 9.51
    MTBE 9.89
    2-butoxyethanol 28.77
    propionic acid 33.67
    o-xylene 11.93
    formic acid 19.1
    diethyl ether 9.95
    m-xylene 13.26
    p-xylene 13.11
    chlorobenzene 42.06
    dimethyl carbonate 49.22
    n-octane 0.2
    formamide 30.37
    cyclopentanone 168.87
    2-pentanone 37.9
    anisole 24.99
    cyclopentyl methyl ether 42.88
    gamma-butyrolactone 187.1
    1-methoxy-2-propanol 43.08
    pyridine 93.18
    3-pentanone 32.68
    furfural 126.24
    n-dodecane 0.3
    diethylene glycol 36.73
    diisopropyl ether 2.94
    tert-amyl alcohol 9.96
    acetylacetone 56.56
    n-hexadecane 0.36
    acetophenone 38.3
    methyl propionate 49.66
    isopentyl acetate 28.76
    trichloroethylene 207.82
    n-nonanol 5.76
    cyclohexanol 17.84
    benzyl alcohol 29.65
    2-ethylhexanol 8.37
    isooctanol 6.83
    dipropyl ether 8.55
    1,2-dichlorobenzene 37.99
    ethyl lactate 21.95
    propylene carbonate 82.75
    n-methylformamide 60.02
    2-pentanol 6.5
    n-pentane 0.34
    1-propoxy-2-propanol 30.66
    1-methoxy-2-propyl acetate 47.79
    2-(2-methoxypropoxy) propanol 35.74
    mesitylene 6.07
    ε-caprolactone 89.03
    p-cymene 6.78
    epichlorohydrin 205.5
    1,1,1-trichloroethane 48.41
    2-aminoethanol 13.59
    morpholine-4-carbaldehyde 177.04
    sulfolane 254.78
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 61.56
    n-hexyl acetate 22.0
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 38.62
    sec-butyl acetate 18.03
    tert-butyl acetate 23.39
    decalin 0.98
    glycerin 26.2
    diglyme 65.63
    acrylic acid 44.69
    isopropyl myristate 9.76
    n-butyric acid 36.28
    acetyl acetate 26.01
    di(2-ethylhexyl) phthalate 19.1
    ethyl propionate 23.0
    nitromethane 100.45
    1,2-diethoxyethane 20.87
    benzonitrile 35.26
    trioctyl phosphate 11.63
    1-bromopropane 22.69
    gamma-valerolactone 215.9
    n-decanol 4.39
    triethyl phosphate 16.8
    4-methyl-2-pentanol 5.6
    propionitrile 22.15
    vinylene carbonate 78.91
    1,1,2-trichlorotrifluoroethane 138.28
    DMS 43.01
    cumene 6.25
    2-octanol 4.13
    2-hexanone 26.14
    octyl acetate 13.37
    limonene 7.87
    1,2-dimethoxyethane 49.92
    ethyl orthosilicate 14.85
    tributyl phosphate 14.2
    diacetone alcohol 37.0
    N,N-dimethylaniline 19.47
    acrylonitrile 38.99
    aniline 37.23
    1,3-propanediol 19.51
    bromobenzene 40.95
    dibromomethane 58.1
    1,1,2,2-tetrachloroethane 140.94
    2-methyl-cyclohexyl acetate 26.04
    tetrabutyl urea 22.09
    diisobutyl methanol 5.33
    2-phenylethanol 30.54
    styrene 12.03
    dioctyl adipate 20.25
    dimethyl sulfate 95.52
    ethyl butyrate 21.48
    methyl lactate 46.22
    butyl lactate 24.58
    diethyl carbonate 17.4
    propanediol butyl ether 24.37
    triethyl orthoformate 18.12
    p-tert-butyltoluene 5.72
    methyl 4-tert-butylbenzoate 35.71
    morpholine 73.17
    tert-butylamine 4.11
    n-dodecanol 3.43
    dimethoxymethane 82.51
    ethylene carbonate 57.61
    cyrene 58.5
    2-ethoxyethyl acetate 38.13
    2-ethylhexyl acetate 24.21
    1,2,4-trichlorobenzene 59.36
    4-methylpyridine 82.61
    dibutyl ether 5.8
    2,6-dimethyl-4-heptanol 5.33
    DEF 59.76
    dimethyl isosorbide 78.56
    tetrachloroethylene 68.97
    eugenol 35.27
    triacetin 36.26
    span 80 27.94
    1,4-butanediol 7.61
    1,1-dichloroethane 52.14
    2-methyl-1-pentanol 11.73
    methyl formate 51.67
    2-methyl-1-butanol 13.07
    n-decane 0.4
    butyronitrile 19.96
    3,7-dimethyl-1-octanol 6.8
    1-chlorooctane 3.06
    1-chlorotetradecane 1.62
    n-nonane 0.3
    undecane 0.34
    tert-butylcyclohexane 0.74
    cyclooctane 0.31
    cyclopentanol 28.02
    tetrahydropyran 38.15
    tert-amyl methyl ether 10.3
    2,5,8-trioxanonane 51.57
    1-hexene 2.86
    2-isopropoxyethanol 20.15
    2,2,2-trifluoroethanol 21.45
    methyl butyrate 32.01

    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