Mammea A/BA

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  • Identifiers

    CAS number
    5224-54-4

    Molecular formula
    C25H26O5

    SMILES
    CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 43.15%
    Herbal 36.3%
    Spicy 32.57%
    Woody 31.65%
    Phenolic 30.91%
    Dry 29.19%
    Animal 26.81%
    Sweet 25.31%
    Balsamic 24.31%
    Odorless 23.04%

     

    Flavor
    Bitter 85.81%
    Odorless 20.14%
    Cedarleaf 19.79%
    Lovage 19.29%
    Parsley 19.09%
    Heather 19.07%
    Broom 18.85%
    Genet 18.73%
    Bland 18.13%
    Nitrile 18.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.74 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    768°C

    Melting point expt.

    • 125 - 126 °C

    Flash point

    • 225.1 ˚C est.

  • Synonyms

    • Mammea A/BA
    • 5224-54-4
    • isomammeisin
    • CHEMBL511810
    • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-phenyl-
    • 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one
    • 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin
    • 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methylbutyryl)-4-phenyl-2H-1-benzopyran-2-one
    • KBio2_004924
    • Spectrum_001847
    • SpecPlus_000404
    • Spectrum3_001024
    • Spectrum4_001154
    • 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-phenylchromen-2-one
    • BSPBio_002807
    • KBioGR_001727
    • KBioSS_002359
    • DivK1c_006500
    • orb1744457
    • SCHEMBL6914103
    • CHEBI:69992
    • KBio1_001444
    • KBio2_002356
    • KBio2_007492
    • KBio3_002027
    • DTXSID80200283
    • BDBM50330762
    • LMPK12100020
    • NCGC00178459-01
    • DA-70159
    • CS-0530444
    • BRD-K92138166-001-01-0
    • Q27138336
    • 5,7-Dihydroxy-8-isovaleryl-6-(3-methyl-2-butenyl)-4-phenylcoumarin, 8CI
    • 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one
    • 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-phenyl-2h-chromen-2-one
    • 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one, 9CI
    • 5,7-Dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-en-1-yl)-4-phenyl-2H-1-benzopyran-2-one
    • 5224-54-4

  • Applications

    Mammea A/BA (CAS 5224-54-4) is primarily used as a fragrance ingredient and fixative in perfumery and cosmetic formulations, helping to stabilize and extend scent in perfumes and personal care products; it is also employed as an additional fragrance component in cosmetics and skincare products; in household products such as air fresheners, cleaners and laundry products, it contributes a distinctive aroma; in industrial manufacturing it can serve as a fragrance additive for coatings, paints, and polymer formulations; and it may function as an intermediate in fragrance synthesis, subject to formulation limits and regulatory guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.54
    methanol 21.61
    isopropanol 11.96
    water 0.02
    ethyl acetate 13.06
    n-propanol 20.85
    acetone 34.92
    n-butanol 12.71
    acetonitrile 13.4
    DMF 276.25
    toluene 4.87
    isobutanol 14.02
    1,4-dioxane 26.99
    methyl acetate 27.21
    THF 110.77
    2-butanone 36.71
    n-pentanol 10.67
    sec-butanol 12.56
    n-hexane 0.08
    ethylene glycol 21.7
    NMP 439.71
    cyclohexane 0.1
    DMSO 225.0
    n-butyl acetate 13.66
    n-octanol 2.46
    chloroform 33.7
    n-propyl acetate 14.31
    acetic acid 91.83
    dichloromethane 39.86
    cyclohexanone 52.25
    propylene glycol 55.71
    isopropyl acetate 9.56
    DMAc 278.14
    2-ethoxyethanol 47.08
    isopentanol 10.93
    n-heptane 0.07
    ethyl formate 14.84
    1,2-dichloroethane 29.37
    n-hexanol 6.22
    2-methoxyethanol 125.9
    isobutyl acetate 10.65
    tetrachloromethane 1.5
    n-pentyl acetate 11.75
    transcutol 173.02
    n-heptanol 4.55
    ethylbenzene 1.95
    MIBK 12.38
    2-propoxyethanol 58.02
    tert-butanol 11.55
    MTBE 4.97
    2-butoxyethanol 31.71
    propionic acid 48.71
    o-xylene 2.8
    formic acid 42.59
    diethyl ether 3.03
    m-xylene 3.1
    p-xylene 3.2
    chlorobenzene 11.26
    dimethyl carbonate 35.54
    n-octane 0.03
    formamide 62.17
    cyclopentanone 128.09
    2-pentanone 19.84
    anisole 9.9
    cyclopentyl methyl ether 17.3
    gamma-butyrolactone 183.15
    1-methoxy-2-propanol 104.0
    pyridine 53.94
    3-pentanone 14.49
    furfural 128.12
    n-dodecane 0.05
    diethylene glycol 66.91
    diisopropyl ether 0.77
    tert-amyl alcohol 11.75
    acetylacetone 42.62
    n-hexadecane 0.05
    acetophenone 22.84
    methyl propionate 32.07
    isopentyl acetate 14.97
    trichloroethylene 101.09
    n-nonanol 2.76
    cyclohexanol 10.99
    benzyl alcohol 23.19
    2-ethylhexanol 3.54
    isooctanol 4.24
    dipropyl ether 3.15
    1,2-dichlorobenzene 11.93
    ethyl lactate 24.61
    propylene carbonate 70.44
    n-methylformamide 88.28
    2-pentanol 5.82
    n-pentane 0.07
    1-propoxy-2-propanol 37.19
    1-methoxy-2-propyl acetate 39.72
    2-(2-methoxypropoxy) propanol 45.38
    mesitylene 1.27
    ε-caprolactone 59.29
    p-cymene 1.81
    epichlorohydrin 201.3
    1,1,1-trichloroethane 12.84
    2-aminoethanol 41.11
    morpholine-4-carbaldehyde 236.15
    sulfolane 353.64
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 34.0
    n-hexyl acetate 11.64
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 55.0
    sec-butyl acetate 8.58
    tert-butyl acetate 14.13
    decalin 0.15
    glycerin 115.31
    diglyme 86.26
    acrylic acid 69.36
    isopropyl myristate 3.71
    n-butyric acid 38.84
    acetyl acetate 12.96
    di(2-ethylhexyl) phthalate 12.82
    ethyl propionate 12.53
    nitromethane 139.33
    1,2-diethoxyethane 13.93
    benzonitrile 17.69
    trioctyl phosphate 6.53
    1-bromopropane 5.88
    gamma-valerolactone 243.67
    n-decanol 1.91
    triethyl phosphate 9.16
    4-methyl-2-pentanol 3.98
    propionitrile 13.47
    vinylene carbonate 60.45
    1,1,2-trichlorotrifluoroethane 195.38
    DMS 30.81
    cumene 1.54
    2-octanol 2.17
    2-hexanone 14.95
    octyl acetate 6.06
    limonene 1.98
    1,2-dimethoxyethane 45.09
    ethyl orthosilicate 7.56
    tributyl phosphate 8.33
    diacetone alcohol 48.5
    N,N-dimethylaniline 9.38
    acrylonitrile 29.9
    aniline 19.13
    1,3-propanediol 45.6
    bromobenzene 8.32
    dibromomethane 13.74
    1,1,2,2-tetrachloroethane 65.85
    2-methyl-cyclohexyl acetate 13.83
    tetrabutyl urea 13.89
    diisobutyl methanol 2.47
    2-phenylethanol 19.37
    styrene 2.58
    dioctyl adipate 12.29
    dimethyl sulfate 102.13
    ethyl butyrate 10.19
    methyl lactate 65.73
    butyl lactate 26.63
    diethyl carbonate 8.48
    propanediol butyl ether 43.66
    triethyl orthoformate 10.16
    p-tert-butyltoluene 1.79
    methyl 4-tert-butylbenzoate 31.04
    morpholine 65.97
    tert-butylamine 3.15
    n-dodecanol 1.28
    dimethoxymethane 73.58
    ethylene carbonate 38.41
    cyrene 77.02
    2-ethoxyethyl acetate 29.97
    2-ethylhexyl acetate 10.14
    1,2,4-trichlorobenzene 24.74
    4-methylpyridine 40.67
    dibutyl ether 1.94
    2,6-dimethyl-4-heptanol 2.47
    DEF 39.19
    dimethyl isosorbide 89.83
    tetrachloroethylene 26.27
    eugenol 37.26
    triacetin 34.58
    span 80 37.31
    1,4-butanediol 17.15
    1,1-dichloroethane 15.54
    2-methyl-1-pentanol 10.77
    methyl formate 57.92
    2-methyl-1-butanol 13.09
    n-decane 0.07
    butyronitrile 9.8
    3,7-dimethyl-1-octanol 3.52
    1-chlorooctane 0.7
    1-chlorotetradecane 0.32
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.14
    cyclooctane 0.03
    cyclopentanol 24.86
    tetrahydropyran 13.75
    tert-amyl methyl ether 4.88
    2,5,8-trioxanonane 59.46
    1-hexene 0.79
    2-isopropoxyethanol 26.49
    2,2,2-trifluoroethanol 31.7
    methyl butyrate 19.39

    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