Carolinianine

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  • Identifiers

    CAS number
    36101-39-0

    Molecular formula
    C16H24N2O2

    SMILES
    CC1=C[C@@H]2[C@@H](CC[C@H]3N2[C@H](C1)C[C@H]4N3C(=O)CCC4)O

  • Odor profile

    Fragrance
    Nutty 45.69%
    Odorless 43.21%
    Roasted 41.4%
    Popcorn 37.01%
    Fishy 26.16%
    Burnt 25.61%
    Meaty 22.92%
    Sweet 22.57%
    Caramellic 20.0%
    Earthy 19.55%

     

    Flavor
    Bitter 81.18%
    Alkaline 21.29%
    Cedarleaf 21.0%
    Sweet-like 20.55%
    Cereal 20.18%
    Shrimp 20.01%
    Basil 18.8%
    Lovage 18.7%
    Very strong 18.6%
    Nitrile 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.67 (neutral)

    Molecular weight
    276.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    534°C

    Flash point

    • 209.14 ˚C est.

  • Synonyms

    • Carolinianine
    • 36101-39-0
    • (1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one
    • C09856
    • CHEBI:3430
    • DTXSID50331836
    • Q27106075

  • Applications

    Carolinianine (CAS 36101-39-0) is evaluated for use in multiple industrial segments, including as an odorant/fragrance ingredient in perfumery and personal care formulations; as a cosmetic/personal care additive; and as a processing aid or intermediate in industrial manufacturing. It may also function as a component in household cleaning products and as an additive in coatings, inks, or polymers/plastics, depending on formulation and regulatory constraints. Its actual applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.14
    methanol 15.67
    isopropanol 5.09
    water 0.6
    ethyl acetate 6.65
    n-propanol 6.85
    acetone 7.32
    n-butanol 7.84
    acetonitrile 4.49
    DMF 29.63
    toluene 4.92
    isobutanol 5.89
    1,4-dioxane 16.19
    methyl acetate 5.85
    THF 14.55
    2-butanone 8.6
    n-pentanol 5.78
    sec-butanol 2.82
    n-hexane 0.05
    ethylene glycol 9.07
    NMP 25.25
    cyclohexane 0.2
    DMSO 34.38
    n-butyl acetate 11.62
    n-octanol 4.15
    chloroform 38.07
    n-propyl acetate 7.24
    acetic acid 28.22
    dichloromethane 25.25
    cyclohexanone 27.37
    propylene glycol 5.17
    isopropyl acetate 6.33
    DMAc 32.47
    2-ethoxyethanol 21.16
    isopentanol 9.03
    n-heptane 0.08
    ethyl formate 12.62
    1,2-dichloroethane 12.54
    n-hexanol 7.29
    2-methoxyethanol 36.16
    isobutyl acetate 7.58
    tetrachloromethane 4.0
    n-pentyl acetate 12.37
    transcutol 62.19
    n-heptanol 6.77
    ethylbenzene 2.3
    MIBK 7.92
    2-propoxyethanol 35.92
    tert-butanol 4.07
    MTBE 0.94
    2-butoxyethanol 28.28
    propionic acid 11.98
    o-xylene 4.18
    formic acid 26.7
    diethyl ether 1.39
    m-xylene 4.68
    p-xylene 3.32
    chlorobenzene 10.45
    dimethyl carbonate 7.01
    n-octane 0.08
    formamide 27.8
    cyclopentanone 23.59
    2-pentanone 8.4
    anisole 5.13
    cyclopentyl methyl ether 4.82
    gamma-butyrolactone 30.39
    1-methoxy-2-propanol 23.41
    pyridine 24.3
    3-pentanone 5.69
    furfural 52.53
    n-dodecane 0.13
    diethylene glycol 49.47
    diisopropyl ether 0.69
    tert-amyl alcohol 2.69
    acetylacetone 13.58
    n-hexadecane 0.16
    acetophenone 12.44
    methyl propionate 6.97
    isopentyl acetate 13.17
    trichloroethylene 41.39
    n-nonanol 4.91
    cyclohexanol 7.01
    benzyl alcohol 15.45
    2-ethylhexanol 4.82
    isooctanol 6.1
    dipropyl ether 1.55
    1,2-dichlorobenzene 12.04
    ethyl lactate 11.8
    propylene carbonate 20.9
    n-methylformamide 21.3
    2-pentanol 2.9
    n-pentane 0.07
    1-propoxy-2-propanol 19.43
    1-methoxy-2-propyl acetate 19.63
    2-(2-methoxypropoxy) propanol 24.72
    mesitylene 2.72
    ε-caprolactone 25.07
    p-cymene 3.34
    epichlorohydrin 32.34
    1,1,1-trichloroethane 8.74
    2-aminoethanol 11.54
    morpholine-4-carbaldehyde 44.03
    sulfolane 38.43
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 5.86
    n-hexyl acetate 11.73
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 33.77
    sec-butyl acetate 5.19
    tert-butyl acetate 6.04
    decalin 0.24
    glycerin 20.4
    diglyme 45.54
    acrylic acid 16.33
    isopropyl myristate 4.84
    n-butyric acid 21.5
    acetyl acetate 9.23
    di(2-ethylhexyl) phthalate 13.23
    ethyl propionate 5.61
    nitromethane 28.38
    1,2-diethoxyethane 9.08
    benzonitrile 21.51
    trioctyl phosphate 8.29
    1-bromopropane 3.01
    gamma-valerolactone 53.83
    n-decanol 3.67
    triethyl phosphate 8.28
    4-methyl-2-pentanol 3.51
    propionitrile 6.06
    vinylene carbonate 27.65
    1,1,2-trichlorotrifluoroethane 54.32
    DMS 12.72
    cumene 2.3
    2-octanol 3.16
    2-hexanone 6.81
    octyl acetate 7.05
    limonene 3.1
    1,2-dimethoxyethane 20.46
    ethyl orthosilicate 6.92
    tributyl phosphate 9.5
    diacetone alcohol 13.92
    N,N-dimethylaniline 4.64
    acrylonitrile 12.53
    aniline 11.45
    1,3-propanediol 21.52
    bromobenzene 8.42
    dibromomethane 11.62
    1,1,2,2-tetrachloroethane 28.67
    2-methyl-cyclohexyl acetate 11.2
    tetrabutyl urea 12.48
    diisobutyl methanol 2.85
    2-phenylethanol 19.24
    styrene 2.33
    dioctyl adipate 9.85
    dimethyl sulfate 13.33
    ethyl butyrate 7.44
    methyl lactate 14.19
    butyl lactate 17.41
    diethyl carbonate 6.96
    propanediol butyl ether 22.21
    triethyl orthoformate 7.35
    p-tert-butyltoluene 2.74
    methyl 4-tert-butylbenzoate 17.41
    morpholine 17.57
    tert-butylamine 1.38
    n-dodecanol 2.65
    dimethoxymethane 15.6
    ethylene carbonate 23.1
    cyrene 28.65
    2-ethoxyethyl acetate 22.03
    2-ethylhexyl acetate 10.28
    1,2,4-trichlorobenzene 15.65
    4-methylpyridine 18.53
    dibutyl ether 2.03
    2,6-dimethyl-4-heptanol 2.85
    DEF 11.28
    dimethyl isosorbide 33.33
    tetrachloroethylene 24.21
    eugenol 24.51
    triacetin 17.32
    span 80 19.13
    1,4-butanediol 9.94
    1,1-dichloroethane 7.54
    2-methyl-1-pentanol 6.93
    methyl formate 16.97
    2-methyl-1-butanol 6.28
    n-decane 0.18
    butyronitrile 7.24
    3,7-dimethyl-1-octanol 5.06
    1-chlorooctane 1.35
    1-chlorotetradecane 0.68
    n-nonane 0.12
    undecane 0.15
    tert-butylcyclohexane 0.17
    cyclooctane 0.1
    cyclopentanol 6.37
    tetrahydropyran 6.68
    tert-amyl methyl ether 1.14
    2,5,8-trioxanonane 35.69
    1-hexene 0.32
    2-isopropoxyethanol 14.07
    2,2,2-trifluoroethanol 20.31
    methyl butyrate 8.39

    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