Mucronine D

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  • Identifiers

    CAS number
    38496-00-3

    Molecular formula
    C37H51N5O6

    SMILES
    CCC(C)C1C(=O)N/C=C/C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.0%
    Cooling 37.26%
    Savory 30.59%
    Mint 25.31%
    Roasted 22.91%
    Meaty 21.94%
    Cooked 18.33%
    Milky 17.47%
    Bitter 17.11%
    Popcorn 17.1%

     

    Flavor
    Bitter 86.44%
    Odorless 26.79%
    Bland 26.23%
    Cedarleaf 20.46%
    Sweet-like 19.17%
    Nitrile 18.77%
    Lovage 18.52%
    Parsley 17.97%
    Heather 17.88%
    Broom 17.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    10.01 (weak base)

    Molecular weight
    661.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2189°C

    Flash point

    • 263.2 ˚C est.

  • Synonyms

    • Mucronine D
    • Benzenepropanamide, .alpha.-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-
    • N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
    • (2S)-N-((2R,3S)-1-((3S,7R,10S,13Z)-10-((2R)-Butan-2-yl)-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo(13.3.1.0,)nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl)-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-3-phenylpropanimidate
    • (2S)-N-[(2R,3S)-1-[(3S,7R,10S,13Z)-10-[(2R)-Butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0,]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidate
    • N-(1-((13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo(13.3.1.03,7)nonadeca-1(19),13,15,17-tetraen-6-yl)-4-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-3-phenylpropanamide
    • RefChem:159978
    • 38496-00-3
    • Benzenepropanamide, alpha-(dimethylamino)-N-(3-methyl-1-((3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo(3,2-b)(1,5,8)oxadiazacyclopentadecin-1(2H)-yl)carbonyl)butyl)-
    • YTPWZBXRZAQHQB-FBMGVBCBSA-N
    • Daechuine S9
    • CHEBI:230305
    • 38496-00-3

  • Applications

    Mucronine D (CAS 38496-00-3) is typically used as an organic synthesis building block, primarily serving as an intermediate in pharmaceutical and fine chemical syntheses; it is evaluated as a fragrance ingredient or fixative in perfumery and cosmetic applications; in personal care, it may function as a fragrance component or precursor for cosmetic formulations; in coatings and adhesives, it can serve as a specialty additive or precursor for polymers and resins; and in industrial manufacturing, it may act as a building block for polymers or specialty binders.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.65
    methanol 42.21
    isopropanol 12.76
    water 0.43
    ethyl acetate 37.61
    n-propanol 19.56
    acetone 40.74
    n-butanol 13.95
    acetonitrile 17.66
    DMF 87.59
    toluene 13.73
    isobutanol 12.91
    1,4-dioxane 34.1
    methyl acetate 48.32
    THF 69.15
    2-butanone 46.14
    n-pentanol 13.9
    sec-butanol 14.67
    n-hexane 0.55
    ethylene glycol 12.29
    NMP 228.92
    cyclohexane 0.74
    DMSO 64.01
    n-butyl acetate 16.4
    n-octanol 5.31
    chloroform 127.91
    n-propyl acetate 20.1
    acetic acid 283.55
    dichloromethane 95.52
    cyclohexanone 75.97
    propylene glycol 19.5
    isopropyl acetate 21.25
    DMAc 211.08
    2-ethoxyethanol 43.36
    isopentanol 10.8
    n-heptane 0.41
    ethyl formate 32.13
    1,2-dichloroethane 40.97
    n-hexanol 8.79
    2-methoxyethanol 59.99
    isobutyl acetate 12.15
    tetrachloromethane 16.98
    n-pentyl acetate 19.58
    transcutol 75.28
    n-heptanol 7.57
    ethylbenzene 4.68
    MIBK 14.43
    2-propoxyethanol 42.3
    tert-butanol 10.66
    MTBE 8.35
    2-butoxyethanol 33.09
    propionic acid 70.86
    o-xylene 8.13
    formic acid 126.59
    diethyl ether 9.09
    m-xylene 7.19
    p-xylene 7.18
    chlorobenzene 24.72
    dimethyl carbonate 44.48
    n-octane 0.26
    formamide 84.99
    cyclopentanone 98.11
    2-pentanone 31.44
    anisole 10.23
    cyclopentyl methyl ether 22.71
    gamma-butyrolactone 147.41
    1-methoxy-2-propanol 44.09
    pyridine 50.95
    3-pentanone 28.64
    furfural 108.98
    n-dodecane 0.23
    diethylene glycol 37.63
    diisopropyl ether 2.39
    tert-amyl alcohol 13.69
    acetylacetone 50.88
    n-hexadecane 0.26
    acetophenone 23.91
    methyl propionate 46.41
    isopentyl acetate 13.7
    trichloroethylene 137.0
    n-nonanol 5.61
    cyclohexanol 15.81
    benzyl alcohol 22.79
    2-ethylhexanol 4.84
    isooctanol 5.64
    dipropyl ether 4.97
    1,2-dichlorobenzene 23.48
    ethyl lactate 21.73
    propylene carbonate 77.9
    n-methylformamide 62.58
    2-pentanol 8.78
    n-pentane 0.57
    1-propoxy-2-propanol 24.35
    1-methoxy-2-propyl acetate 27.9
    2-(2-methoxypropoxy) propanol 23.23
    mesitylene 3.08
    ε-caprolactone 82.25
    p-cymene 2.76
    epichlorohydrin 107.22
    1,1,1-trichloroethane 46.47
    2-aminoethanol 22.1
    morpholine-4-carbaldehyde 124.73
    sulfolane 169.28
    2,2,4-trimethylpentane 0.46
    2-methyltetrahydrofuran 36.27
    n-hexyl acetate 18.06
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 29.4
    sec-butyl acetate 13.16
    tert-butyl acetate 14.99
    decalin 0.52
    glycerin 41.1
    diglyme 48.66
    acrylic acid 96.75
    isopropyl myristate 4.41
    n-butyric acid 70.46
    acetyl acetate 45.35
    di(2-ethylhexyl) phthalate 10.75
    ethyl propionate 17.92
    nitromethane 192.73
    1,2-diethoxyethane 15.22
    benzonitrile 20.27
    trioctyl phosphate 6.61
    1-bromopropane 15.95
    gamma-valerolactone 165.33
    n-decanol 3.68
    triethyl phosphate 9.11
    4-methyl-2-pentanol 4.82
    propionitrile 16.73
    vinylene carbonate 82.59
    1,1,2-trichlorotrifluoroethane 172.47
    DMS 27.58
    cumene 3.1
    2-octanol 4.23
    2-hexanone 20.14
    octyl acetate 8.36
    limonene 3.75
    1,2-dimethoxyethane 34.03
    ethyl orthosilicate 7.92
    tributyl phosphate 7.53
    diacetone alcohol 30.95
    N,N-dimethylaniline 8.94
    acrylonitrile 29.04
    aniline 25.14
    1,3-propanediol 28.72
    bromobenzene 23.98
    dibromomethane 49.1
    1,1,2,2-tetrachloroethane 99.43
    2-methyl-cyclohexyl acetate 12.08
    tetrabutyl urea 10.69
    diisobutyl methanol 2.18
    2-phenylethanol 17.14
    styrene 6.12
    dioctyl adipate 9.88
    dimethyl sulfate 84.26
    ethyl butyrate 11.89
    methyl lactate 53.23
    butyl lactate 23.39
    diethyl carbonate 9.44
    propanediol butyl ether 29.59
    triethyl orthoformate 9.81
    p-tert-butyltoluene 2.42
    methyl 4-tert-butylbenzoate 21.47
    morpholine 47.04
    tert-butylamine 3.74
    n-dodecanol 2.41
    dimethoxymethane 45.92
    ethylene carbonate 59.26
    cyrene 47.5
    2-ethoxyethyl acetate 39.02
    2-ethylhexyl acetate 11.08
    1,2,4-trichlorobenzene 37.22
    4-methylpyridine 45.68
    dibutyl ether 3.98
    2,6-dimethyl-4-heptanol 2.18
    DEF 50.36
    dimethyl isosorbide 35.22
    tetrachloroethylene 69.52
    eugenol 22.84
    triacetin 32.01
    span 80 22.81
    1,4-butanediol 17.31
    1,1-dichloroethane 44.78
    2-methyl-1-pentanol 12.16
    methyl formate 57.76
    2-methyl-1-butanol 13.29
    n-decane 0.41
    butyronitrile 12.43
    3,7-dimethyl-1-octanol 4.3
    1-chlorooctane 2.49
    1-chlorotetradecane 0.91
    n-nonane 0.34
    undecane 0.3
    tert-butylcyclohexane 0.41
    cyclooctane 0.31
    cyclopentanol 26.13
    tetrahydropyran 22.39
    tert-amyl methyl ether 9.22
    2,5,8-trioxanonane 28.46
    1-hexene 2.74
    2-isopropoxyethanol 27.96
    2,2,2-trifluoroethanol 125.63
    methyl butyrate 24.54

    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