N-Caproyl dopamine

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  • Identifiers

    CAS number
    930050-18-3

    Molecular formula
    C14H21NO3

    SMILES
    CCCCCC(=O)NCCC1=CC(=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.09%
    Savory 39.93%
    Meaty 35.89%
    Cooling 33.64%
    Spicy 28.29%
    Cheesy 23.66%
    Animal 23.37%
    Fishy 22.14%
    Burnt 21.64%
    Pungent 21.06%

     

    Flavor
    Odorless 45.95%
    Mild 37.5%
    Bland 30.6%
    Bitter 26.34%
    Herbal 25.14%
    Sweet-like 20.78%
    Creosote 20.21%
    Lovage 20.1%
    Leaves 19.89%
    Ethyl benzoate 19.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    10.01 (weak base)

    Molecular weight
    251.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 193.37 ˚C est.

  • Synonyms

    • N-Caproyl dopamine
    • Actowhite HD251
    • N-Caproyl dopamine [INCI]
    • UNII-AME10783QJ
    • AME10783QJ
    • Hexanamide, N-(2-(3,4-dihydroxyphenyl)ethyl)-
    • 930050-18-3
    • RefChem:202088
    • hexanoyl dopamine
    • CHEMBL272486
    • SCHEMBL26998191
    • AKOS033805372
    • Q27274009
    • Z221529150
    • 930050-18-3

  • Applications

    N-Caproyl dopamine (CAS 930050-18-3) is an amide derivative of dopamine in which the amine is acylated with caproic acid; as such, it is commonly used as a synthetic intermediate for catechol-containing compounds. It serves as a building block for polymers and functional coatings with surface-binding capabilities; it is studied as a precursor for mussel-inspired coating systems and adhesives; and it provides a platform for materials science research and surface-technology applications involving catechol functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.65
    methanol 1501.74
    isopropanol 190.39
    water 0.63
    ethyl acetate 242.88
    n-propanol 236.78
    acetone 412.5
    n-butanol 160.15
    acetonitrile 77.62
    DMF 398.29
    toluene 8.16
    isobutanol 86.96
    1,4-dioxane 208.99
    methyl acetate 128.94
    THF 351.47
    2-butanone 154.32
    n-pentanol 79.33
    sec-butanol 82.33
    n-hexane 0.31
    ethylene glycol 85.93
    NMP 129.15
    cyclohexane 0.7
    DMSO 1198.5
    n-butyl acetate 62.81
    n-octanol 18.59
    chloroform 30.83
    n-propyl acetate 64.14
    acetic acid 347.72
    dichloromethane 43.23
    cyclohexanone 164.94
    propylene glycol 130.78
    isopropyl acetate 104.73
    DMAc 380.65
    2-ethoxyethanol 285.44
    isopentanol 101.43
    n-heptane 0.51
    ethyl formate 83.95
    1,2-dichloroethane 53.51
    n-hexanol 55.41
    2-methoxyethanol 764.65
    isobutyl acetate 38.87
    tetrachloromethane 3.76
    n-pentyl acetate 31.1
    transcutol 528.92
    n-heptanol 25.82
    ethylbenzene 5.78
    MIBK 75.82
    2-propoxyethanol 194.86
    tert-butanol 224.48
    MTBE 75.81
    2-butoxyethanol 84.11
    propionic acid 136.07
    o-xylene 10.04
    formic acid 228.87
    diethyl ether 47.9
    m-xylene 10.83
    p-xylene 8.67
    chlorobenzene 14.01
    dimethyl carbonate 45.11
    n-octane 0.55
    formamide 440.59
    cyclopentanone 219.45
    2-pentanone 161.76
    anisole 29.6
    cyclopentyl methyl ether 62.86
    gamma-butyrolactone 234.25
    1-methoxy-2-propanol 359.27
    pyridine 62.35
    3-pentanone 65.17
    furfural 146.72
    n-dodecane 0.79
    diethylene glycol 224.53
    diisopropyl ether 10.83
    tert-amyl alcohol 105.02
    acetylacetone 224.79
    n-hexadecane 0.89
    acetophenone 42.35
    methyl propionate 121.73
    isopentyl acetate 60.46
    trichloroethylene 85.99
    n-nonanol 19.17
    cyclohexanol 60.65
    benzyl alcohol 47.66
    2-ethylhexanol 21.1
    isooctanol 21.07
    dipropyl ether 15.37
    1,2-dichlorobenzene 16.9
    ethyl lactate 42.4
    propylene carbonate 90.91
    n-methylformamide 264.41
    2-pentanol 59.32
    n-pentane 0.29
    1-propoxy-2-propanol 101.84
    1-methoxy-2-propyl acetate 94.4
    2-(2-methoxypropoxy) propanol 80.16
    mesitylene 7.47
    ε-caprolactone 123.12
    p-cymene 6.85
    epichlorohydrin 219.61
    1,1,1-trichloroethane 22.92
    2-aminoethanol 221.55
    morpholine-4-carbaldehyde 193.41
    sulfolane 274.51
    2,2,4-trimethylpentane 0.92
    2-methyltetrahydrofuran 113.83
    n-hexyl acetate 39.35
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 128.45
    sec-butyl acetate 40.23
    tert-butyl acetate 96.69
    decalin 1.08
    glycerin 193.73
    diglyme 232.43
    acrylic acid 101.88
    isopropyl myristate 17.36
    n-butyric acid 221.47
    acetyl acetate 82.72
    di(2-ethylhexyl) phthalate 24.14
    ethyl propionate 45.87
    nitromethane 526.33
    1,2-diethoxyethane 94.21
    benzonitrile 32.3
    trioctyl phosphate 17.17
    1-bromopropane 11.25
    gamma-valerolactone 301.18
    n-decanol 15.29
    triethyl phosphate 21.45
    4-methyl-2-pentanol 33.67
    propionitrile 44.22
    vinylene carbonate 68.04
    1,1,2-trichlorotrifluoroethane 154.44
    DMS 46.92
    cumene 6.04
    2-octanol 14.53
    2-hexanone 56.0
    octyl acetate 22.39
    limonene 9.41
    1,2-dimethoxyethane 265.54
    ethyl orthosilicate 20.95
    tributyl phosphate 20.48
    diacetone alcohol 155.83
    N,N-dimethylaniline 22.44
    acrylonitrile 67.18
    aniline 32.8
    1,3-propanediol 362.99
    bromobenzene 10.45
    dibromomethane 19.08
    1,1,2,2-tetrachloroethane 71.56
    2-methyl-cyclohexyl acetate 33.02
    tetrabutyl urea 29.43
    diisobutyl methanol 15.23
    2-phenylethanol 43.67
    styrene 6.62
    dioctyl adipate 30.99
    dimethyl sulfate 86.86
    ethyl butyrate 37.04
    methyl lactate 84.26
    butyl lactate 40.24
    diethyl carbonate 26.24
    propanediol butyl ether 83.79
    triethyl orthoformate 28.81
    p-tert-butyltoluene 7.07
    methyl 4-tert-butylbenzoate 48.39
    morpholine 295.42
    tert-butylamine 49.37
    n-dodecanol 12.01
    dimethoxymethane 295.32
    ethylene carbonate 63.3
    cyrene 73.4
    2-ethoxyethyl acetate 72.99
    2-ethylhexyl acetate 36.1
    1,2,4-trichlorobenzene 23.1
    4-methylpyridine 50.22
    dibutyl ether 17.51
    2,6-dimethyl-4-heptanol 15.23
    DEF 134.21
    dimethyl isosorbide 112.35
    tetrachloroethylene 42.5
    eugenol 53.2
    triacetin 55.79
    span 80 60.85
    1,4-butanediol 94.53
    1,1-dichloroethane 26.64
    2-methyl-1-pentanol 57.72
    methyl formate 148.04
    2-methyl-1-butanol 73.18
    n-decane 1.09
    butyronitrile 53.9
    3,7-dimethyl-1-octanol 22.22
    1-chlorooctane 6.0
    1-chlorotetradecane 3.23
    n-nonane 0.85
    undecane 0.9
    tert-butylcyclohexane 1.13
    cyclooctane 0.39
    cyclopentanol 67.35
    tetrahydropyran 98.51
    tert-amyl methyl ether 43.2
    2,5,8-trioxanonane 153.49
    1-hexene 2.48
    2-isopropoxyethanol 137.99
    2,2,2-trifluoroethanol 74.08
    methyl butyrate 68.54

    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