Moschamindole

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  • Identifiers

    CAS number
    99615-94-8

    Molecular formula
    C20H18N2O4

    SMILES
    COC1=C(C=CC(=C1)[C@H]2[C@H]3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.54%
    Vanilla 36.47%
    Sweet 27.68%
    Phenolic 26.28%
    Spicy 25.34%
    Savory 25.09%
    Burnt 24.77%
    Milky 21.93%
    Dairy 20.98%
    Creamy 20.51%

     

    Flavor
    Bitter 97.38%
    Bland 20.61%
    Sweet-like 19.44%
    Cedarleaf 18.67%
    Odorless 18.36%
    Lovage 17.68%
    Very strong 17.52%
    Indole 17.37%
    Parsley 17.33%
    Cereal 17.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.35 (weak base)

    Molecular weight
    350.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1348°C

    Flash point

    • 291.84 ˚C est.

  • Synonyms

    • Moschamindole
    • CHEBI:175473
    • DTXSID001105344
    • 99615-94-8
    • (3R,4R)-3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one
    • {2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine
    • rel-(2R,2aR)-2,2a,4,5,6,8-Hexahydro-2-(4-hydroxy-3-methoxyphenyl)-3H-furo[2,3,4-kl]pyrrolo[4,3,2-fg][3]benzazocin-3-one
    • 99615-94-8

  • Applications

    Moschamindole (CAS 99615-94-8) is primarily used as a fragrance ingredient with a musk-like odor, serving as an odorant and/or a fixative in perfumery. It is commonly evaluated for use in cosmetics and personal care products to impart musk notes, and may be incorporated into household products such as air fresheners and detergents as a fragrance additive. In industrial applications, it can function as a fragrance component in coatings and inks, and it may be used as an intermediate or precursor in the synthesis of fragrance-related materials for polymers and plastics. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.81
    methanol 1.22
    isopropanol 0.97
    water 0.05
    ethyl acetate 2.24
    n-propanol 0.78
    acetone 7.62
    n-butanol 1.12
    acetonitrile 1.74
    DMF 31.14
    toluene 0.24
    isobutanol 0.74
    1,4-dioxane 5.0
    methyl acetate 3.04
    THF 8.57
    2-butanone 4.31
    n-pentanol 1.24
    sec-butanol 0.53
    n-hexane 0.02
    ethylene glycol 2.15
    NMP 9.87
    cyclohexane 0.03
    DMSO 31.57
    n-butyl acetate 3.03
    n-octanol 1.86
    chloroform 2.5
    n-propyl acetate 3.03
    acetic acid 9.44
    dichloromethane 2.21
    cyclohexanone 8.35
    propylene glycol 0.9
    isopropyl acetate 2.74
    DMAc 42.41
    2-ethoxyethanol 8.03
    isopentanol 1.72
    n-heptane 0.05
    ethyl formate 2.96
    1,2-dichloroethane 1.68
    n-hexanol 1.28
    2-methoxyethanol 11.84
    isobutyl acetate 3.04
    tetrachloromethane 0.38
    n-pentyl acetate 4.95
    transcutol 18.83
    n-heptanol 2.32
    ethylbenzene 0.26
    MIBK 3.51
    2-propoxyethanol 10.46
    tert-butanol 1.51
    MTBE 0.65
    2-butoxyethanol 10.72
    propionic acid 2.4
    o-xylene 0.28
    formic acid 8.66
    diethyl ether 0.63
    m-xylene 0.28
    p-xylene 0.53
    chlorobenzene 0.71
    dimethyl carbonate 5.77
    n-octane 0.07
    formamide 11.96
    cyclopentanone 9.47
    2-pentanone 3.84
    anisole 1.28
    cyclopentyl methyl ether 1.5
    gamma-butyrolactone 9.44
    1-methoxy-2-propanol 7.91
    pyridine 3.24
    3-pentanone 2.6
    furfural 12.68
    n-dodecane 0.11
    diethylene glycol 15.2
    diisopropyl ether 0.32
    tert-amyl alcohol 0.89
    acetylacetone 8.89
    n-hexadecane 0.12
    acetophenone 3.43
    methyl propionate 2.88
    isopentyl acetate 3.98
    trichloroethylene 4.56
    n-nonanol 2.42
    cyclohexanol 0.98
    benzyl alcohol 2.52
    2-ethylhexanol 1.15
    isooctanol 2.28
    dipropyl ether 1.1
    1,2-dichlorobenzene 1.12
    ethyl lactate 4.27
    propylene carbonate 5.83
    n-methylformamide 7.8
    2-pentanol 0.64
    n-pentane 0.02
    1-propoxy-2-propanol 6.25
    1-methoxy-2-propyl acetate 6.93
    2-(2-methoxypropoxy) propanol 10.13
    mesitylene 0.24
    ε-caprolactone 6.34
    p-cymene 0.51
    epichlorohydrin 8.49
    1,1,1-trichloroethane 1.3
    2-aminoethanol 1.81
    morpholine-4-carbaldehyde 18.77
    sulfolane 14.99
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.7
    n-hexyl acetate 4.64
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 12.95
    sec-butyl acetate 2.09
    tert-butyl acetate 3.09
    decalin 0.04
    glycerin 6.1
    diglyme 21.3
    acrylic acid 4.52
    isopropyl myristate 2.62
    n-butyric acid 4.08
    acetyl acetate 3.53
    di(2-ethylhexyl) phthalate 4.04
    ethyl propionate 2.44
    nitromethane 19.56
    1,2-diethoxyethane 5.34
    benzonitrile 3.07
    trioctyl phosphate 3.34
    1-bromopropane 0.45
    gamma-valerolactone 23.4
    n-decanol 1.86
    triethyl phosphate 2.9
    4-methyl-2-pentanol 0.89
    propionitrile 2.0
    vinylene carbonate 6.85
    1,1,2-trichlorotrifluoroethane 14.79
    DMS 5.61
    cumene 0.29
    2-octanol 1.46
    2-hexanone 3.84
    octyl acetate 3.43
    limonene 0.56
    1,2-dimethoxyethane 12.87
    ethyl orthosilicate 2.61
    tributyl phosphate 3.53
    diacetone alcohol 6.96
    N,N-dimethylaniline 1.3
    acrylonitrile 4.03
    aniline 0.98
    1,3-propanediol 4.52
    bromobenzene 0.53
    dibromomethane 0.94
    1,1,2,2-tetrachloroethane 3.79
    2-methyl-cyclohexyl acetate 3.33
    tetrabutyl urea 6.29
    diisobutyl methanol 1.0
    2-phenylethanol 3.16
    styrene 0.28
    dioctyl adipate 4.43
    dimethyl sulfate 10.63
    ethyl butyrate 2.71
    methyl lactate 5.51
    butyl lactate 6.68
    diethyl carbonate 2.64
    propanediol butyl ether 7.12
    triethyl orthoformate 3.12
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 6.72
    morpholine 4.9
    tert-butylamine 0.43
    n-dodecanol 1.41
    dimethoxymethane 12.2
    ethylene carbonate 6.11
    cyrene 10.56
    2-ethoxyethyl acetate 8.77
    2-ethylhexyl acetate 2.72
    1,2,4-trichlorobenzene 1.75
    4-methylpyridine 2.49
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 1.0
    DEF 5.73
    dimethyl isosorbide 13.99
    tetrachloroethylene 2.77
    eugenol 9.19
    triacetin 8.04
    span 80 6.78
    1,4-butanediol 2.43
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 1.55
    methyl formate 7.46
    2-methyl-1-butanol 0.99
    n-decane 0.15
    butyronitrile 1.78
    3,7-dimethyl-1-octanol 1.83
    1-chlorooctane 0.67
    1-chlorotetradecane 0.4
    n-nonane 0.11
    undecane 0.12
    tert-butylcyclohexane 0.04
    cyclooctane 0.02
    cyclopentanol 1.05
    tetrahydropyran 1.53
    tert-amyl methyl ether 0.64
    2,5,8-trioxanonane 17.24
    1-hexene 0.12
    2-isopropoxyethanol 5.7
    2,2,2-trifluoroethanol 7.29
    methyl butyrate 3.56

    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