• Identifiers

    CAS number
    41787-55-7

    Molecular formula
    C18H15NO4

    SMILES
    C1CNC2CC3=CC4=C(C=C3C5=C2C1=CC6=C5OCO6)OCO4

    Safety labels

  • Odor profile

    Fragrance
    Animal 33.93%
    Odorless 33.27%
    Floral 24.99%
    Spicy 23.98%
    Sweet 21.43%
    Phenolic 19.64%
    Powdery 18.56%
    Musk 15.8%
    Vanilla 15.03%
    Aromatic 12.97%

     

    Flavor
    Bitter 96.59%
    Cedarleaf 16.69%
    Sweet-like 16.5%
    Cereal 16.43%
    Alkaline 16.24%
    Indole 16.17%
    Very strong 16.14%
    Bland 15.42%
    Rotten 15.37%
    Shrimp 15.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.53 (weak acid)

    Molecular weight
    309.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    659°C

    Melting point expt.

    • 219 - 221 °C

    Flash point

    • 225.46 ˚C est.

  • Synonyms

    • Cryptodorine
    • 5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0^{2,10}.0^{4,8}.0^{16,23}.0^{18,22}]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
    • 5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
    • 41787-55-7
    • 5,7,19,21-tetraoxa-13-azahexacyclo(10.10.1.0^(2,10).0^(4,8).0^(16,23).0^(18,22))tricosa-1(23),2,4(8),9,16,18(22)-hexaene
    • 5,7,19,21-tetraoxa-13-azahexacyclo(10.10.1.02,10.04,8.016,23.018,22)tricosa-1(23),2,4(8),9,16,18(22)-hexaene
    • RefChem:128603
    • Norneolitsine
    • SCHEMBL31029804
    • CHEBI:174959
    • 1,2:9,10-Bismethylenedioxynoraporphine
    • 41787-55-7
  • Applications

    Cryptodorine (CAS number: 41787-55-7) is typically considered an odorant and fragrance intermediate, with potential applications in perfumery and cosmetics/personal care as a fragrance ingredient; it may also be evaluated for use in household products such as air fresheners and cleaners as a fragrance additive; in coatings and inks, it could serve as a fragrance component to impart specific odor characteristics; in polymers/plastics, it may be explored as a processing aid or odorant modifier within formulated materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.47
    methanol 2.37
    isopropanol 1.11
    water 0.07
    ethyl acetate 6.57
    n-propanol 1.15
    acetone 7.71
    n-butanol 1.65
    acetonitrile 4.17
    DMF 20.31
    toluene 1.34
    isobutanol 1.16
    1,4-dioxane 8.04
    methyl acetate 5.04
    THF 11.16
    2-butanone 5.43
    n-pentanol 1.62
    sec-butanol 0.6
    n-hexane 0.03
    ethylene glycol 3.3
    NMP 14.81
    cyclohexane 0.1
    DMSO 24.74
    n-butyl acetate 8.7
    n-octanol 2.78
    chloroform 12.2
    n-propyl acetate 7.31
    acetic acid 11.25
    dichloromethane 11.8
    cyclohexanone 14.12
    propylene glycol 0.95
    isopropyl acetate 6.62
    DMAc 26.79
    2-ethoxyethanol 10.11
    isopentanol 2.81
    n-heptane 0.14
    ethyl formate 8.4
    1,2-dichloroethane 8.08
    n-hexanol 2.91
    2-methoxyethanol 15.04
    isobutyl acetate 6.53
    tetrachloromethane 2.17
    n-pentyl acetate 9.78
    transcutol 24.98
    n-heptanol 3.84
    ethylbenzene 0.98
    MIBK 6.62
    2-propoxyethanol 18.32
    tert-butanol 1.72
    MTBE 0.83
    2-butoxyethanol 15.06
    propionic acid 3.68
    o-xylene 1.42
    formic acid 11.31
    diethyl ether 1.35
    m-xylene 1.52
    p-xylene 1.72
    chlorobenzene 3.84
    dimethyl carbonate 10.47
    n-octane 0.13
    formamide 16.91
    cyclopentanone 14.35
    2-pentanone 6.76
    anisole 3.42
    cyclopentyl methyl ether 3.63
    gamma-butyrolactone 18.4
    1-methoxy-2-propanol 9.12
    pyridine 8.94
    3-pentanone 4.42
    furfural 27.62
    n-dodecane 0.21
    diethylene glycol 23.58
    diisopropyl ether 0.79
    tert-amyl alcohol 1.01
    acetylacetone 14.08
    n-hexadecane 0.25
    acetophenone 8.56
    methyl propionate 6.17
    isopentyl acetate 9.48
    trichloroethylene 19.61
    n-nonanol 3.55
    cyclohexanol 2.05
    benzyl alcohol 6.24
    2-ethylhexanol 2.9
    isooctanol 3.82
    dipropyl ether 2.31
    1,2-dichlorobenzene 5.66
    ethyl lactate 8.17
    propylene carbonate 13.31
    n-methylformamide 10.6
    2-pentanol 0.89
    n-pentane 0.04
    1-propoxy-2-propanol 10.71
    1-methoxy-2-propyl acetate 15.06
    2-(2-methoxypropoxy) propanol 14.1
    mesitylene 1.19
    ε-caprolactone 13.13
    p-cymene 2.19
    epichlorohydrin 19.77
    1,1,1-trichloroethane 5.44
    2-aminoethanol 2.59
    morpholine-4-carbaldehyde 26.41
    sulfolane 23.64
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.71
    n-hexyl acetate 8.66
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 16.47
    sec-butyl acetate 4.98
    tert-butyl acetate 6.43
    decalin 0.15
    glycerin 7.27
    diglyme 30.06
    acrylic acid 6.97
    isopropyl myristate 4.94
    n-butyric acid 7.97
    acetyl acetate 8.97
    di(2-ethylhexyl) phthalate 7.49
    ethyl propionate 6.02
    nitromethane 22.93
    1,2-diethoxyethane 7.97
    benzonitrile 9.64
    trioctyl phosphate 5.79
    1-bromopropane 1.65
    gamma-valerolactone 32.1
    n-decanol 2.83
    triethyl phosphate 7.48
    4-methyl-2-pentanol 1.5
    propionitrile 3.98
    vinylene carbonate 16.94
    1,1,2-trichlorotrifluoroethane 31.81
    DMS 10.73
    cumene 1.13
    2-octanol 2.06
    2-hexanone 6.27
    octyl acetate 6.11
    limonene 2.1
    1,2-dimethoxyethane 16.1
    ethyl orthosilicate 6.34
    tributyl phosphate 6.24
    diacetone alcohol 10.26
    N,N-dimethylaniline 3.26
    acrylonitrile 8.33
    aniline 3.93
    1,3-propanediol 6.19
    bromobenzene 3.43
    dibromomethane 5.02
    1,1,2,2-tetrachloroethane 13.55
    2-methyl-cyclohexyl acetate 8.41
    tetrabutyl urea 9.08
    diisobutyl methanol 2.09
    2-phenylethanol 9.05
    styrene 1.17
    dioctyl adipate 7.93
    dimethyl sulfate 17.46
    ethyl butyrate 7.64
    methyl lactate 9.56
    butyl lactate 10.25
    diethyl carbonate 7.49
    propanediol butyl ether 8.35
    triethyl orthoformate 7.35
    p-tert-butyltoluene 1.83
    methyl 4-tert-butylbenzoate 13.16
    morpholine 7.94
    tert-butylamine 0.67
    n-dodecanol 2.23
    dimethoxymethane 14.7
    ethylene carbonate 14.18
    cyrene 16.14
    2-ethoxyethyl acetate 15.53
    2-ethylhexyl acetate 7.45
    1,2,4-trichlorobenzene 6.78
    4-methylpyridine 7.67
    dibutyl ether 2.77
    2,6-dimethyl-4-heptanol 2.09
    DEF 10.39
    dimethyl isosorbide 22.58
    tetrachloroethylene 11.69
    eugenol 14.52
    triacetin 12.67
    span 80 9.4
    1,4-butanediol 2.91
    1,1-dichloroethane 3.96
    2-methyl-1-pentanol 2.29
    methyl formate 11.16
    2-methyl-1-butanol 1.54
    n-decane 0.28
    butyronitrile 4.46
    3,7-dimethyl-1-octanol 3.21
    1-chlorooctane 1.48
    1-chlorotetradecane 0.88
    n-nonane 0.2
    undecane 0.24
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 1.94
    tetrahydropyran 3.35
    tert-amyl methyl ether 0.98
    2,5,8-trioxanonane 24.26
    1-hexene 0.21
    2-isopropoxyethanol 7.31
    2,2,2-trifluoroethanol 11.28
    methyl butyrate 8.33

    Scent© AI

1 of 4
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