Cycloclausenamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    103541-16-8

    Molecular formula
    C18H17NO2

    SMILES
    CN1[C@H]2[C@H]([C@@H](C1=O)O[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4

    Safety labels

  • Odor profile

    Fragrance
    Fruity 37.33%
    Sweet 31.13%
    Odorless 30.22%
    Bitter 28.34%
    Floral 27.13%
    Honey 25.25%
    Spicy 24.13%
    Almond 23.48%
    Burnt 20.03%
    Green 20.01%

     

    Flavor
    Bitter 86.65%
    Cedarleaf 20.01%
    Nitrile 19.36%
    Sweet-like 19.1%
    Moth ball 18.8%
    Very strong 18.57%
    Indole 18.55%
    Lovage 18.47%
    Naphthalic 18.41%
    Naphthelene 18.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.26 (neutral)

    Molecular weight
    279.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 188.26 ˚C est.

  • Synonyms

    • Cycloclausenamide
    • RefChem:129426
    • 103541-16-8
    • (1S,3R,4S,7R)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
    • 103541-16-8

  • Applications

    Cycloclausenamide (CAS 103541-16-8) is a specialty organic compound typically considered as an intermediate in the synthesis of pharmaceuticals and agrochemicals; it may also be used as a solvent or processing aid in certain chemical manufacturing steps, and is regarded as an additive component for coatings, paints, and inks in the coatings/inks and materials sector, with potential applicability in polymer/plastic systems as a processing aid or reinforcing ingredient; it may also be evaluated as an intermediate for processing routes related to cleaning formulations or sanitation products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.66
    methanol 18.62
    isopropanol 6.72
    water 1.28
    ethyl acetate 22.26
    n-propanol 10.21
    acetone 36.01
    n-butanol 10.81
    acetonitrile 24.51
    DMF 78.83
    toluene 14.12
    isobutanol 8.8
    1,4-dioxane 53.72
    methyl acetate 26.0
    THF 70.81
    2-butanone 31.41
    n-pentanol 10.42
    sec-butanol 5.38
    n-hexane 0.21
    ethylene glycol 12.84
    NMP 40.66
    cyclohexane 0.76
    DMSO 38.67
    n-butyl acetate 20.47
    n-octanol 8.32
    chloroform 187.68
    n-propyl acetate 22.46
    acetic acid 42.23
    dichloromethane 169.3
    cyclohexanone 58.39
    propylene glycol 5.94
    isopropyl acetate 17.6
    DMAc 79.2
    2-ethoxyethanol 35.52
    isopentanol 14.77
    n-heptane 0.57
    ethyl formate 35.08
    1,2-dichloroethane 89.59
    n-hexanol 13.36
    2-methoxyethanol 48.94
    isobutyl acetate 19.02
    tetrachloromethane 8.88
    n-pentyl acetate 19.24
    transcutol 102.38
    n-heptanol 12.83
    ethylbenzene 9.12
    MIBK 22.0
    2-propoxyethanol 40.95
    tert-butanol 8.16
    MTBE 5.2
    2-butoxyethanol 38.83
    propionic acid 22.42
    o-xylene 10.94
    formic acid 36.57
    diethyl ether 8.03
    m-xylene 11.08
    p-xylene 13.36
    chlorobenzene 37.11
    dimethyl carbonate 30.06
    n-octane 0.49
    formamide 68.46
    cyclopentanone 69.63
    2-pentanone 23.72
    anisole 22.59
    cyclopentyl methyl ether 16.79
    gamma-butyrolactone 87.31
    1-methoxy-2-propanol 30.63
    pyridine 74.09
    3-pentanone 19.22
    furfural 108.61
    n-dodecane 0.66
    diethylene glycol 49.84
    diisopropyl ether 3.23
    tert-amyl alcohol 6.81
    acetylacetone 44.84
    n-hexadecane 0.75
    acetophenone 37.48
    methyl propionate 23.1
    isopentyl acetate 23.37
    trichloroethylene 217.7
    n-nonanol 9.76
    cyclohexanol 11.13
    benzyl alcohol 30.84
    2-ethylhexanol 10.32
    isooctanol 12.34
    dipropyl ether 7.4
    1,2-dichlorobenzene 43.71
    ethyl lactate 23.0
    propylene carbonate 55.21
    n-methylformamide 43.19
    2-pentanol 6.26
    n-pentane 0.25
    1-propoxy-2-propanol 24.75
    1-methoxy-2-propyl acetate 31.1
    2-(2-methoxypropoxy) propanol 32.51
    mesitylene 6.9
    ε-caprolactone 48.47
    p-cymene 8.27
    epichlorohydrin 128.84
    1,1,1-trichloroethane 37.46
    2-aminoethanol 14.53
    morpholine-4-carbaldehyde 69.13
    sulfolane 67.84
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 23.06
    n-hexyl acetate 20.07
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 42.2
    sec-butyl acetate 15.27
    tert-butyl acetate 17.4
    decalin 0.99
    glycerin 21.49
    diglyme 91.4
    acrylic acid 34.51
    isopropyl myristate 9.73
    n-butyric acid 33.81
    acetyl acetate 25.84
    di(2-ethylhexyl) phthalate 16.05
    ethyl propionate 19.44
    nitromethane 87.88
    1,2-diethoxyethane 23.09
    benzonitrile 43.72
    trioctyl phosphate 10.16
    1-bromopropane 15.49
    gamma-valerolactone 104.3
    n-decanol 7.32
    triethyl phosphate 15.84
    4-methyl-2-pentanol 7.87
    propionitrile 23.84
    vinylene carbonate 70.67
    1,1,2-trichlorotrifluoroethane 89.13
    DMS 27.39
    cumene 7.59
    2-octanol 7.07
    2-hexanone 20.53
    octyl acetate 12.59
    limonene 8.03
    1,2-dimethoxyethane 56.87
    ethyl orthosilicate 14.1
    tributyl phosphate 12.11
    diacetone alcohol 26.72
    N,N-dimethylaniline 16.07
    acrylonitrile 48.78
    aniline 23.71
    1,3-propanediol 23.7
    bromobenzene 33.26
    dibromomethane 70.5
    1,1,2,2-tetrachloroethane 123.71
    2-methyl-cyclohexyl acetate 21.25
    tetrabutyl urea 16.96
    diisobutyl methanol 7.11
    2-phenylethanol 30.46
    styrene 10.47
    dioctyl adipate 17.86
    dimethyl sulfate 40.64
    ethyl butyrate 19.46
    methyl lactate 26.64
    butyl lactate 23.21
    diethyl carbonate 18.63
    propanediol butyl ether 24.12
    triethyl orthoformate 17.13
    p-tert-butyltoluene 6.67
    methyl 4-tert-butylbenzoate 32.52
    morpholine 44.68
    tert-butylamine 4.14
    n-dodecanol 5.55
    dimethoxymethane 51.92
    ethylene carbonate 51.66
    cyrene 44.87
    2-ethoxyethyl acetate 33.09
    2-ethylhexyl acetate 17.81
    1,2,4-trichlorobenzene 46.89
    4-methylpyridine 47.77
    dibutyl ether 7.78
    2,6-dimethyl-4-heptanol 7.11
    DEF 28.83
    dimethyl isosorbide 55.68
    tetrachloroethylene 81.02
    eugenol 39.13
    triacetin 32.52
    span 80 23.48
    1,4-butanediol 11.77
    1,1-dichloroethane 43.86
    2-methyl-1-pentanol 12.96
    methyl formate 48.38
    2-methyl-1-butanol 10.77
    n-decane 0.98
    butyronitrile 21.47
    3,7-dimethyl-1-octanol 9.57
    1-chlorooctane 4.92
    1-chlorotetradecane 2.46
    n-nonane 0.72
    undecane 0.78
    tert-butylcyclohexane 0.83
    cyclooctane 0.39
    cyclopentanol 12.25
    tetrahydropyran 24.82
    tert-amyl methyl ether 5.74
    2,5,8-trioxanonane 58.92
    1-hexene 1.64
    2-isopropoxyethanol 25.9
    2,2,2-trifluoroethanol 36.75
    methyl butyrate 27.98

    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