CID 3555370

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  • Identifiers

    CAS number
    56144-22-0

    Molecular formula
    C28H37NO4

    SMILES
    CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.34%
    Spicy 32.17%
    Woody 23.13%
    Cooling 19.51%
    Mint 19.48%
    Herbal 19.13%
    Bitter 18.23%
    Nutty 18.2%
    Sweet 18.01%
    Phenolic 17.21%

     

    Flavor
    Bitter 72.94%
    Minty 25.91%
    Herbal 24.27%
    Cedarleaf 21.57%
    Fresh 21.23%
    Basil 19.69%
    Lovage 19.68%
    Spicy 19.33%
    Leaves 19.29%
    Alkaline 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.55 (neutral)

    Molecular weight
    451.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1246°C

    Flash point

    • 247.16 ˚C est.

  • Synonyms

    • 56144-22-0
    • 16-Benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
    • CHEBI:201378
    • CID 102239810
    • (1R,2R,3E,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
    • 56144-22-0

  • Applications

    CID 3555370, CAS 56144-22-0, is commonly regarded as an intermediate and/or solvent in a range of industrial formulations; depending on the system and formulation goals, it may function as a processing aid, stabilizer, or solvent. Real-world applications typically span coatings and inks, adhesives, polymers/plastics, cleaning formulations, and electronics manufacturing. Use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.13
    methanol 196.05
    isopropanol 60.65
    water 0.17
    ethyl acetate 38.14
    n-propanol 111.27
    acetone 91.33
    n-butanol 79.21
    acetonitrile 20.02
    DMF 224.9
    toluene 11.31
    isobutanol 48.71
    1,4-dioxane 74.13
    methyl acetate 37.94
    THF 286.17
    2-butanone 74.53
    n-pentanol 46.0
    sec-butanol 38.91
    n-hexane 0.64
    ethylene glycol 25.55
    NMP 169.94
    cyclohexane 0.86
    DMSO 257.31
    n-butyl acetate 26.91
    n-octanol 14.03
    chloroform 78.71
    n-propyl acetate 23.98
    acetic acid 184.34
    dichloromethane 51.91
    cyclohexanone 107.27
    propylene glycol 39.84
    isopropyl acetate 25.13
    DMAc 223.57
    2-ethoxyethanol 102.86
    isopentanol 41.34
    n-heptane 0.6
    ethyl formate 41.83
    1,2-dichloroethane 37.9
    n-hexanol 35.03
    2-methoxyethanol 199.76
    isobutyl acetate 17.09
    tetrachloromethane 8.14
    n-pentyl acetate 28.98
    transcutol 107.15
    n-heptanol 22.51
    ethylbenzene 5.28
    MIBK 31.79
    2-propoxyethanol 120.01
    tert-butanol 27.62
    MTBE 12.45
    2-butoxyethanol 70.48
    propionic acid 58.2
    o-xylene 6.04
    formic acid 104.04
    diethyl ether 25.9
    m-xylene 7.12
    p-xylene 5.97
    chlorobenzene 16.46
    dimethyl carbonate 39.64
    n-octane 0.31
    formamide 99.68
    cyclopentanone 157.26
    2-pentanone 63.52
    anisole 17.42
    cyclopentyl methyl ether 46.8
    gamma-butyrolactone 143.34
    1-methoxy-2-propanol 134.15
    pyridine 65.01
    3-pentanone 40.05
    furfural 101.54
    n-dodecane 0.25
    diethylene glycol 91.91
    diisopropyl ether 4.11
    tert-amyl alcohol 21.72
    acetylacetone 55.12
    n-hexadecane 0.29
    acetophenone 26.87
    methyl propionate 51.01
    isopentyl acetate 25.88
    trichloroethylene 85.04
    n-nonanol 14.6
    cyclohexanol 30.46
    benzyl alcohol 34.61
    2-ethylhexanol 13.07
    isooctanol 16.12
    dipropyl ether 11.79
    1,2-dichlorobenzene 14.8
    ethyl lactate 26.91
    propylene carbonate 54.95
    n-methylformamide 140.46
    2-pentanol 26.32
    n-pentane 0.86
    1-propoxy-2-propanol 59.88
    1-methoxy-2-propyl acetate 46.34
    2-(2-methoxypropoxy) propanol 39.28
    mesitylene 3.52
    ε-caprolactone 91.31
    p-cymene 4.26
    epichlorohydrin 159.33
    1,1,1-trichloroethane 24.12
    2-aminoethanol 73.26
    morpholine-4-carbaldehyde 163.37
    sulfolane 168.8
    2,2,4-trimethylpentane 0.46
    2-methyltetrahydrofuran 68.13
    n-hexyl acetate 30.33
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 61.21
    sec-butyl acetate 15.27
    tert-butyl acetate 22.0
    decalin 0.66
    glycerin 68.56
    diglyme 92.22
    acrylic acid 60.23
    isopropyl myristate 8.48
    n-butyric acid 86.68
    acetyl acetate 23.26
    di(2-ethylhexyl) phthalate 17.76
    ethyl propionate 21.26
    nitromethane 137.75
    1,2-diethoxyethane 24.79
    benzonitrile 24.73
    trioctyl phosphate 12.96
    1-bromopropane 18.9
    gamma-valerolactone 235.12
    n-decanol 8.87
    triethyl phosphate 11.72
    4-methyl-2-pentanol 14.53
    propionitrile 28.6
    vinylene carbonate 57.65
    1,1,2-trichlorotrifluoroethane 132.16
    DMS 23.66
    cumene 3.85
    2-octanol 10.82
    2-hexanone 32.97
    octyl acetate 14.68
    limonene 5.85
    1,2-dimethoxyethane 88.05
    ethyl orthosilicate 10.79
    tributyl phosphate 12.15
    diacetone alcohol 47.9
    N,N-dimethylaniline 13.27
    acrylonitrile 40.85
    aniline 28.6
    1,3-propanediol 104.97
    bromobenzene 12.6
    dibromomethane 30.27
    1,1,2,2-tetrachloroethane 65.22
    2-methyl-cyclohexyl acetate 19.86
    tetrabutyl urea 19.18
    diisobutyl methanol 5.87
    2-phenylethanol 35.04
    styrene 5.98
    dioctyl adipate 17.01
    dimethyl sulfate 62.25
    ethyl butyrate 18.51
    methyl lactate 60.06
    butyl lactate 34.97
    diethyl carbonate 12.41
    propanediol butyl ether 53.41
    triethyl orthoformate 15.08
    p-tert-butyltoluene 3.77
    methyl 4-tert-butylbenzoate 33.04
    morpholine 130.33
    tert-butylamine 8.62
    n-dodecanol 5.24
    dimethoxymethane 153.3
    ethylene carbonate 48.26
    cyrene 56.38
    2-ethoxyethyl acetate 47.0
    2-ethylhexyl acetate 18.94
    1,2,4-trichlorobenzene 21.45
    4-methylpyridine 49.46
    dibutyl ether 6.76
    2,6-dimethyl-4-heptanol 5.87
    DEF 67.21
    dimethyl isosorbide 62.29
    tetrachloroethylene 42.92
    eugenol 39.86
    triacetin 29.65
    span 80 36.91
    1,4-butanediol 41.27
    1,1-dichloroethane 31.18
    2-methyl-1-pentanol 28.78
    methyl formate 88.27
    2-methyl-1-butanol 40.77
    n-decane 0.54
    butyronitrile 29.01
    3,7-dimethyl-1-octanol 10.33
    1-chlorooctane 3.98
    1-chlorotetradecane 1.25
    n-nonane 0.43
    undecane 0.35
    tert-butylcyclohexane 0.53
    cyclooctane 0.33
    cyclopentanol 49.68
    tetrahydropyran 64.22
    tert-amyl methyl ether 12.61
    2,5,8-trioxanonane 55.77
    1-hexene 4.2
    2-isopropoxyethanol 53.5
    2,2,2-trifluoroethanol 46.13
    methyl butyrate 30.96

    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