Mauritine A

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  • Identifiers

    CAS number
    38478-72-7

    Molecular formula
    C32H41N5O5

    SMILES
    C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.78%
    Savory 30.68%
    Cooling 29.69%
    Roasted 23.67%
    Meaty 23.55%
    Popcorn 21.14%
    Cooked 21.06%
    Bitter 19.72%
    Nutty 18.88%
    Mint 18.33%

     

    Flavor
    Bitter 88.47%
    Odorless 28.76%
    Bland 23.44%
    Cedarleaf 19.87%
    Sweet-like 19.5%
    Nitrile 19.1%
    Lovage 18.13%
    Heather 17.79%
    Broom 17.73%
    Parsley 17.6%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    13.79 (strong base)

    Molecular weight
    575.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2104°C

    Flash point

    • 291.86 ˚C est.

  • Synonyms

    • Mauritine A
    • (2S)-N-((2S)-1-((3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo(13.2.2.03,7)nonadeca-1(18),13,15(19),16-tetraen-6-yl)-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)propanamide
    • (2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide
    • RefChem:1088876
    • CHEMBL1927951
    • SCHEMBL29979611
    • CHEBI:69167
    • DTXSID701098168
    • Q27137507
    • 38478-72-7
    • Propanamide, 2-(dimethylamino)-N-[(1S)-2-methyl-1-[[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]propyl]-, (2S)-
    • 38478-72-7

  • Applications

    Mauritine A (CAS 38478-72-7) is a natural product–type compound that is used as an intermediate in organic synthesis and as a potential chiral building block for pharmaceutical and agrochemical development; in industry, it is evaluated for fragrance or odorant applications in perfumery and cosmetics; it can also serve as a precursor for polymer and coating formulations after suitable transformations; and it may be explored as a research scaffold for advanced material applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.03
    methanol 45.3
    isopropanol 9.93
    water 0.45
    ethyl acetate 21.4
    n-propanol 18.97
    acetone 23.06
    n-butanol 13.93
    acetonitrile 10.66
    DMF 80.44
    toluene 9.03
    isobutanol 11.09
    1,4-dioxane 23.6
    methyl acetate 27.27
    THF 57.24
    2-butanone 31.7
    n-pentanol 12.85
    sec-butanol 13.49
    n-hexane 0.3
    ethylene glycol 11.75
    NMP 159.54
    cyclohexane 0.36
    DMSO 52.27
    n-butyl acetate 10.12
    n-octanol 4.12
    chloroform 92.5
    n-propyl acetate 12.44
    acetic acid 199.74
    dichloromethane 75.11
    cyclohexanone 50.24
    propylene glycol 20.99
    isopropyl acetate 11.32
    DMAc 165.92
    2-ethoxyethanol 40.11
    isopentanol 9.46
    n-heptane 0.25
    ethyl formate 25.74
    1,2-dichloroethane 27.15
    n-hexanol 7.33
    2-methoxyethanol 59.22
    isobutyl acetate 6.71
    tetrachloromethane 9.98
    n-pentyl acetate 12.61
    transcutol 52.34
    n-heptanol 6.29
    ethylbenzene 3.07
    MIBK 8.46
    2-propoxyethanol 36.61
    tert-butanol 6.39
    MTBE 4.64
    2-butoxyethanol 28.12
    propionic acid 54.0
    o-xylene 4.98
    formic acid 115.55
    diethyl ether 6.38
    m-xylene 4.5
    p-xylene 4.24
    chlorobenzene 15.85
    dimethyl carbonate 28.54
    n-octane 0.15
    formamide 82.28
    cyclopentanone 66.87
    2-pentanone 19.99
    anisole 7.87
    cyclopentyl methyl ether 15.91
    gamma-butyrolactone 97.08
    1-methoxy-2-propanol 39.86
    pyridine 41.99
    3-pentanone 17.68
    furfural 89.96
    n-dodecane 0.12
    diethylene glycol 33.1
    diisopropyl ether 1.29
    tert-amyl alcohol 9.62
    acetylacetone 27.62
    n-hexadecane 0.14
    acetophenone 15.68
    methyl propionate 29.7
    isopentyl acetate 8.37
    trichloroethylene 97.18
    n-nonanol 4.4
    cyclohexanol 12.49
    benzyl alcohol 19.23
    2-ethylhexanol 3.71
    isooctanol 4.29
    dipropyl ether 3.55
    1,2-dichlorobenzene 14.71
    ethyl lactate 17.06
    propylene carbonate 53.15
    n-methylformamide 60.07
    2-pentanol 7.6
    n-pentane 0.33
    1-propoxy-2-propanol 20.61
    1-methoxy-2-propyl acetate 18.1
    2-(2-methoxypropoxy) propanol 18.81
    mesitylene 1.77
    ε-caprolactone 57.4
    p-cymene 1.76
    epichlorohydrin 82.36
    1,1,1-trichloroethane 23.85
    2-aminoethanol 24.11
    morpholine-4-carbaldehyde 101.54
    sulfolane 121.4
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 25.47
    n-hexyl acetate 11.6
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 23.07
    sec-butyl acetate 7.42
    tert-butyl acetate 7.13
    decalin 0.29
    glycerin 42.36
    diglyme 39.43
    acrylic acid 76.14
    isopropyl myristate 2.76
    n-butyric acid 54.81
    acetyl acetate 20.47
    di(2-ethylhexyl) phthalate 7.57
    ethyl propionate 11.43
    nitromethane 121.33
    1,2-diethoxyethane 10.07
    benzonitrile 14.67
    trioctyl phosphate 4.6
    1-bromopropane 10.3
    gamma-valerolactone 127.11
    n-decanol 2.69
    triethyl phosphate 6.6
    4-methyl-2-pentanol 3.49
    propionitrile 11.91
    vinylene carbonate 60.46
    1,1,2-trichlorotrifluoroethane 137.4
    DMS 15.78
    cumene 1.91
    2-octanol 3.22
    2-hexanone 13.09
    octyl acetate 5.54
    limonene 2.18
    1,2-dimethoxyethane 27.52
    ethyl orthosilicate 5.8
    tributyl phosphate 5.15
    diacetone alcohol 18.97
    N,N-dimethylaniline 6.31
    acrylonitrile 21.55
    aniline 20.45
    1,3-propanediol 28.39
    bromobenzene 13.98
    dibromomethane 34.81
    1,1,2,2-tetrachloroethane 66.53
    2-methyl-cyclohexyl acetate 7.89
    tetrabutyl urea 7.4
    diisobutyl methanol 1.49
    2-phenylethanol 12.99
    styrene 4.14
    dioctyl adipate 6.97
    dimethyl sulfate 55.77
    ethyl butyrate 8.0
    methyl lactate 42.73
    butyl lactate 18.33
    diethyl carbonate 6.57
    propanediol butyl ether 25.61
    triethyl orthoformate 7.48
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 14.72
    morpholine 38.2
    tert-butylamine 2.32
    n-dodecanol 1.68
    dimethoxymethane 36.48
    ethylene carbonate 42.29
    cyrene 37.06
    2-ethoxyethyl acetate 24.63
    2-ethylhexyl acetate 6.99
    1,2,4-trichlorobenzene 23.84
    4-methylpyridine 34.15
    dibutyl ether 2.62
    2,6-dimethyl-4-heptanol 1.49
    DEF 38.25
    dimethyl isosorbide 26.74
    tetrachloroethylene 45.78
    eugenol 18.32
    triacetin 20.75
    span 80 17.57
    1,4-butanediol 16.99
    1,1-dichloroethane 26.24
    2-methyl-1-pentanol 9.94
    methyl formate 49.95
    2-methyl-1-butanol 12.53
    n-decane 0.24
    butyronitrile 9.56
    3,7-dimethyl-1-octanol 2.89
    1-chlorooctane 1.54
    1-chlorotetradecane 0.51
    n-nonane 0.2
    undecane 0.16
    tert-butylcyclohexane 0.21
    cyclooctane 0.16
    cyclopentanol 20.29
    tetrahydropyran 15.85
    tert-amyl methyl ether 5.97
    2,5,8-trioxanonane 22.94
    1-hexene 1.69
    2-isopropoxyethanol 21.68
    2,2,2-trifluoroethanol 76.84
    methyl butyrate 16.45

    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