3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone

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  • Identifiers

    CAS number
    136762-45-3

    Molecular formula
    C33H52N2O6

    SMILES
    CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.46%
    Woody 27.18%
    Cooling 26.62%
    Savory 26.59%
    Milky 26.18%
    Fresh 24.31%
    Animal 23.81%
    Dry 22.19%
    Fatty 21.95%
    Musk 21.12%

     

    Flavor
    Bitter 44.26%
    Bland 36.25%
    Odorless 34.49%
    Mild 26.2%
    Herbal 20.81%
    Cedarleaf 19.98%
    Parsley 19.9%
    Lovage 19.39%
    Heather 19.18%
    Slightly waxy 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    -2.46 (strong acid)

    Molecular weight
    572.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    903°C

    Flash point

    • 205.62 ˚C est.

  • Synonyms

    • 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone
    • CHEBI:176119
    • DTXSID001103005
    • [2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] 14-methylpentadecanoate
    • 136762-45-3
    • Pentadecanoic acid, 14-methyl-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester
    • 136762-45-3

  • Applications

    3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone (CAS 136762-45-3) is used as a specialized intermediate and formulation component in several industries. It is commonly evaluated as a building block in the synthesis of polyketide-inspired compounds for pharmaceutical research; in cosmetics/personal care, it may be used as a specialty ingredient or additive in formulations; in polymers and coatings, it can serve as a processing aid or plasticizer-compatible modifier for hydrophobic materials; and in cleaning and household products, it is explored as a performance additive affecting formulation stability or texture. Use is generally limited to research and development, and applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.22
    methanol 101.33
    isopropanol 12.48
    water 0.6
    ethyl acetate 26.64
    n-propanol 35.49
    acetone 66.5
    n-butanol 20.79
    acetonitrile 22.27
    DMF 161.86
    toluene 8.0
    isobutanol 18.45
    1,4-dioxane 34.37
    methyl acetate 37.76
    THF 113.52
    2-butanone 55.2
    n-pentanol 17.92
    sec-butanol 14.94
    n-hexane 0.27
    ethylene glycol 11.07
    NMP 367.05
    cyclohexane 0.33
    DMSO 128.93
    n-butyl acetate 13.11
    n-octanol 4.96
    chloroform 143.92
    n-propyl acetate 21.55
    acetic acid 229.86
    dichloromethane 156.81
    cyclohexanone 93.69
    propylene glycol 23.1
    isopropyl acetate 13.92
    DMAc 271.01
    2-ethoxyethanol 58.16
    isopentanol 13.19
    n-heptane 0.16
    ethyl formate 39.85
    1,2-dichloroethane 61.8
    n-hexanol 5.57
    2-methoxyethanol 87.28
    isobutyl acetate 13.82
    tetrachloromethane 11.96
    n-pentyl acetate 21.87
    transcutol 100.44
    n-heptanol 6.47
    ethylbenzene 3.5
    MIBK 15.5
    2-propoxyethanol 42.57
    tert-butanol 8.46
    MTBE 5.68
    2-butoxyethanol 37.01
    propionic acid 64.94
    o-xylene 4.75
    formic acid 138.71
    diethyl ether 7.06
    m-xylene 4.32
    p-xylene 5.53
    chlorobenzene 20.74
    dimethyl carbonate 35.13
    n-octane 0.1
    formamide 125.87
    cyclopentanone 158.22
    2-pentanone 32.96
    anisole 11.54
    cyclopentyl methyl ether 22.51
    gamma-butyrolactone 217.46
    1-methoxy-2-propanol 50.07
    pyridine 60.29
    3-pentanone 27.48
    furfural 153.76
    n-dodecane 0.08
    diethylene glycol 31.87
    diisopropyl ether 1.21
    tert-amyl alcohol 11.25
    acetylacetone 55.76
    n-hexadecane 0.1
    acetophenone 26.26
    methyl propionate 40.81
    isopentyl acetate 13.63
    trichloroethylene 200.13
    n-nonanol 5.1
    cyclohexanol 13.84
    benzyl alcohol 23.75
    2-ethylhexanol 3.2
    isooctanol 5.43
    dipropyl ether 4.3
    1,2-dichlorobenzene 23.15
    ethyl lactate 20.33
    propylene carbonate 90.27
    n-methylformamide 111.1
    2-pentanol 6.5
    n-pentane 0.24
    1-propoxy-2-propanol 22.94
    1-methoxy-2-propyl acetate 26.54
    2-(2-methoxypropoxy) propanol 31.85
    mesitylene 1.87
    ε-caprolactone 93.57
    p-cymene 1.83
    epichlorohydrin 180.73
    1,1,1-trichloroethane 43.68
    2-aminoethanol 36.26
    morpholine-4-carbaldehyde 159.37
    sulfolane 288.03
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 42.43
    n-hexyl acetate 20.99
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 38.99
    sec-butyl acetate 11.1
    tert-butyl acetate 14.87
    decalin 0.28
    glycerin 41.29
    diglyme 76.89
    acrylic acid 80.83
    isopropyl myristate 4.81
    n-butyric acid 66.75
    acetyl acetate 28.19
    di(2-ethylhexyl) phthalate 14.4
    ethyl propionate 16.98
    nitromethane 260.95
    1,2-diethoxyethane 16.98
    benzonitrile 21.51
    trioctyl phosphate 8.05
    1-bromopropane 15.45
    gamma-valerolactone 255.19
    n-decanol 2.9
    triethyl phosphate 10.84
    4-methyl-2-pentanol 3.53
    propionitrile 17.95
    vinylene carbonate 97.64
    1,1,2-trichlorotrifluoroethane 195.91
    DMS 25.36
    cumene 2.43
    2-octanol 3.32
    2-hexanone 25.2
    octyl acetate 8.61
    limonene 2.2
    1,2-dimethoxyethane 51.41
    ethyl orthosilicate 9.16
    tributyl phosphate 10.01
    diacetone alcohol 33.8
    N,N-dimethylaniline 8.86
    acrylonitrile 33.7
    aniline 20.42
    1,3-propanediol 38.61
    bromobenzene 17.58
    dibromomethane 57.39
    1,1,2,2-tetrachloroethane 133.28
    2-methyl-cyclohexyl acetate 14.82
    tetrabutyl urea 14.34
    diisobutyl methanol 1.58
    2-phenylethanol 13.98
    styrene 4.51
    dioctyl adipate 14.28
    dimethyl sulfate 88.62
    ethyl butyrate 12.44
    methyl lactate 39.89
    butyl lactate 26.54
    diethyl carbonate 10.05
    propanediol butyl ether 32.37
    triethyl orthoformate 11.33
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 33.32
    morpholine 63.31
    tert-butylamine 2.5
    n-dodecanol 1.66
    dimethoxymethane 68.34
    ethylene carbonate 68.16
    cyrene 62.25
    2-ethoxyethyl acetate 42.66
    2-ethylhexyl acetate 10.25
    1,2,4-trichlorobenzene 36.37
    4-methylpyridine 42.48
    dibutyl ether 3.95
    2,6-dimethyl-4-heptanol 1.58
    DEF 46.51
    dimethyl isosorbide 63.88
    tetrachloroethylene 77.09
    eugenol 32.67
    triacetin 47.59
    span 80 28.18
    1,4-butanediol 19.27
    1,1-dichloroethane 41.01
    2-methyl-1-pentanol 13.57
    methyl formate 90.71
    2-methyl-1-butanol 17.6
    n-decane 0.18
    butyronitrile 15.07
    3,7-dimethyl-1-octanol 4.09
    1-chlorooctane 1.82
    1-chlorotetradecane 0.51
    n-nonane 0.15
    undecane 0.12
    tert-butylcyclohexane 0.25
    cyclooctane 0.13
    cyclopentanol 27.16
    tetrahydropyran 23.86
    tert-amyl methyl ether 6.45
    2,5,8-trioxanonane 46.54
    1-hexene 1.82
    2-isopropoxyethanol 31.05
    2,2,2-trifluoroethanol 84.9
    methyl butyrate 27.49

    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