(1S,11R,14S,24R)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triaconta-12,25-diene-3,16-dione

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  • Identifiers

    CAS number
    72362-03-9

    Molecular formula
    C28H46N2O4

    SMILES
    CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 48.21%
    Coumarinic 46.78%
    Coconut 45.93%
    Nutty 45.7%
    Woody 40.09%
    Spicy 39.99%
    Lactonic 39.09%
    Mint 39.03%
    Sweet 35.93%
    Celery 34.65%

     

    Flavor
    Minty 35.12%
    Fruity 29.22%
    Animal 26.5%
    Mint 24.13%
    Shrimp 22.92%
    Bitter 22.48%
    Spicy 22.44%
    Caramel 21.67%
    Coumarin 21.56%
    Alkaline 21.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    24.71 (strong base)

    Molecular weight
    474.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    701°C

    Flash point

    • 293.97 ˚C est.

  • Synonyms

    • DTXSID301108911
    • (1S,11R,14S,24R)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triaconta-12,25-diene-3,16-dione
    • 72362-03-9
    • 72362-03-9

  • Applications

    Chemical name: (1S,11R,14S,24R)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triaconta-12,25-diene-3,16-dione; CAS number: 72362-03-9. This polycyclic diamide scaffold is primarily considered as a synthetic building block in medicinal chemistry and related research, where it can serve as a framework for constructing complex heterocycles. It may also be evaluated as a precursor for specialty polymers and high-performance materials, including crosslinking agents or starting materials for polyimide-type resins. In chemical manufacturing it can function as a route to elaborated libraries of pharmaceutical-like and agrochemical candidates. In coatings and inks, it could be used as a functional building block or crosslinking component for durable, heat-resistant formulations. In catalysis or materials chemistry, it may be explored as a ligand precursor or fragment in the design of heteroatom-rich frameworks. Use is typically governed by regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.47
    methanol 14.64
    isopropanol 10.2
    water 0.13
    ethyl acetate 64.66
    n-propanol 19.09
    acetone 47.08
    n-butanol 21.25
    acetonitrile 27.96
    DMF 59.3
    toluene 63.05
    isobutanol 14.76
    1,4-dioxane 79.87
    methyl acetate 54.15
    THF 169.26
    2-butanone 67.0
    n-pentanol 21.27
    sec-butanol 16.42
    n-hexane 3.71
    ethylene glycol 2.88
    NMP 194.09
    cyclohexane 7.84
    DMSO 74.95
    n-butyl acetate 57.54
    n-octanol 15.26
    chloroform 314.15
    n-propyl acetate 50.49
    acetic acid 79.23
    dichloromethane 325.77
    cyclohexanone 159.9
    propylene glycol 4.53
    isopropyl acetate 41.96
    DMAc 162.86
    2-ethoxyethanol 46.61
    isopentanol 20.19
    n-heptane 2.6
    ethyl formate 47.82
    1,2-dichloroethane 154.21
    n-hexanol 19.11
    2-methoxyethanol 42.15
    isobutyl acetate 32.73
    tetrachloromethane 44.16
    n-pentyl acetate 68.01
    transcutol 162.48
    n-heptanol 16.69
    ethylbenzene 28.2
    MIBK 36.47
    2-propoxyethanol 56.56
    tert-butanol 10.54
    MTBE 17.67
    2-butoxyethanol 53.95
    propionic acid 44.05
    o-xylene 38.3
    formic acid 27.62
    diethyl ether 29.11
    m-xylene 33.6
    p-xylene 35.22
    chlorobenzene 111.28
    dimethyl carbonate 32.63
    n-octane 1.42
    formamide 36.79
    cyclopentanone 169.28
    2-pentanone 55.02
    anisole 43.69
    cyclopentyl methyl ether 69.85
    gamma-butyrolactone 217.67
    1-methoxy-2-propanol 32.36
    pyridine 142.93
    3-pentanone 56.97
    furfural 218.94
    n-dodecane 1.43
    diethylene glycol 29.0
    diisopropyl ether 9.58
    tert-amyl alcohol 16.33
    acetylacetone 74.49
    n-hexadecane 1.68
    acetophenone 67.73
    methyl propionate 57.23
    isopentyl acetate 53.98
    trichloroethylene 328.41
    n-nonanol 17.45
    cyclohexanol 34.91
    benzyl alcohol 47.04
    2-ethylhexanol 17.56
    isooctanol 14.66
    dipropyl ether 22.57
    1,2-dichlorobenzene 109.69
    ethyl lactate 29.06
    propylene carbonate 131.27
    n-methylformamide 37.86
    2-pentanol 14.39
    n-pentane 3.02
    1-propoxy-2-propanol 38.96
    1-methoxy-2-propyl acetate 63.17
    2-(2-methoxypropoxy) propanol 54.66
    mesitylene 17.66
    ε-caprolactone 169.49
    p-cymene 17.89
    epichlorohydrin 229.22
    1,1,1-trichloroethane 120.19
    2-aminoethanol 9.33
    morpholine-4-carbaldehyde 143.66
    sulfolane 252.33
    2,2,4-trimethylpentane 2.35
    2-methyltetrahydrofuran 105.56
    n-hexyl acetate 66.45
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 66.0
    sec-butyl acetate 35.48
    tert-butyl acetate 36.4
    decalin 5.16
    glycerin 11.68
    diglyme 129.19
    acrylic acid 47.21
    isopropyl myristate 23.16
    n-butyric acid 70.64
    acetyl acetate 56.95
    di(2-ethylhexyl) phthalate 40.36
    ethyl propionate 43.94
    nitromethane 106.17
    1,2-diethoxyethane 61.79
    benzonitrile 68.8
    trioctyl phosphate 22.83
    1-bromopropane 64.86
    gamma-valerolactone 253.58
    n-decanol 12.05
    triethyl phosphate 34.83
    4-methyl-2-pentanol 10.72
    propionitrile 28.83
    vinylene carbonate 132.94
    1,1,2-trichlorotrifluoroethane 145.61
    DMS 57.95
    cumene 17.64
    2-octanol 11.61
    2-hexanone 47.56
    octyl acetate 33.92
    limonene 21.1
    1,2-dimethoxyethane 68.61
    ethyl orthosilicate 31.98
    tributyl phosphate 31.41
    diacetone alcohol 37.07
    N,N-dimethylaniline 30.97
    acrylonitrile 38.5
    aniline 63.23
    1,3-propanediol 18.06
    bromobenzene 118.48
    dibromomethane 188.84
    1,1,2,2-tetrachloroethane 235.69
    2-methyl-cyclohexyl acetate 50.89
    tetrabutyl urea 40.65
    diisobutyl methanol 9.53
    2-phenylethanol 42.73
    styrene 35.42
    dioctyl adipate 45.25
    dimethyl sulfate 65.72
    ethyl butyrate 47.3
    methyl lactate 32.49
    butyl lactate 47.98
    diethyl carbonate 36.87
    propanediol butyl ether 33.64
    triethyl orthoformate 39.5
    p-tert-butyltoluene 14.36
    methyl 4-tert-butylbenzoate 64.26
    morpholine 93.22
    tert-butylamine 6.93
    n-dodecanol 8.69
    dimethoxymethane 45.61
    ethylene carbonate 110.88
    cyrene 68.48
    2-ethoxyethyl acetate 104.57
    2-ethylhexyl acetate 50.75
    1,2,4-trichlorobenzene 135.54
    4-methylpyridine 122.64
    dibutyl ether 23.66
    2,6-dimethyl-4-heptanol 9.53
    DEF 73.9
    dimethyl isosorbide 110.76
    tetrachloroethylene 167.18
    eugenol 60.17
    triacetin 90.76
    span 80 49.02
    1,4-butanediol 10.28
    1,1-dichloroethane 102.8
    2-methyl-1-pentanol 23.46
    methyl formate 34.93
    2-methyl-1-butanol 21.66
    n-decane 2.58
    butyronitrile 31.56
    3,7-dimethyl-1-octanol 15.27
    1-chlorooctane 13.64
    1-chlorotetradecane 5.78
    n-nonane 1.97
    undecane 1.83
    tert-butylcyclohexane 3.19
    cyclooctane 2.97
    cyclopentanol 38.51
    tetrahydropyran 83.49
    tert-amyl methyl ether 23.07
    2,5,8-trioxanonane 83.94
    1-hexene 14.32
    2-isopropoxyethanol 35.59
    2,2,2-trifluoroethanol 44.27
    methyl butyrate 58.15

    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