11-(Heptylamino)undecanoic acid

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  • Identifiers

    CAS number
    68564-88-5

    Molecular formula
    C18H37NO2

    SMILES
    CCCCCCCNCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 48.15%
    Waxy 42.41%
    Fatty 39.9%
    Cheesy 37.92%
    Meaty 36.13%
    Savory 30.36%
    Odorless 30.07%
    Animal 29.89%
    Oily 29.18%
    Citrus 25.26%

     

    Flavor
    Fatty 48.18%
    Waxy 35.87%
    Mild 35.77%
    Odorless 34.21%
    Bland 33.09%
    Faint 31.65%
    Fat 28.42%
    Slightly waxy 24.83%
    Bay oil 23.72%
    Oily 23.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.23 (neutral)

    Molecular weight
    299.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point

    • 191.1 ˚C est.

  • Synonyms

    • 11-(Heptylamino)undecanoic acid
    • 68564-88-5
    • EINECS 271-487-7
    • DTXSID00218668
    • RefChem:77775
    • DTXCID50141159
    • 271-487-7
    • (1-cheptylamino)undecanoic acid
    • Undecanoic acid, 11-(heptylamino)-
    • 11-Heptylaminoundecanoic acid
    • SCHEMBL600361
    • 11-(Heptylamino)undecanoicacid
    • GNHLOUIICBHQIT-UHFFFAOYSA-N
    • MFCD23142811
    • AKOS028108483
    • AS-60438
    • NS00036661
    • A10956
    • 68564-88-5

  • Applications

    11-(Heptylamino)undecanoic acid (CAS 68564-88-5) is a long-chain amino-functionalized carboxylic acid that is commonly considered a versatile building block in formulations for coatings, inks, and polymer systems. It can function as a surfactant or surface-active intermediate, aiding dispersion, wetting, and adhesion. It is also used as an intermediate for polyurethane and polyamide resins and can serve as a coupling or functionalizing agent in industrial cleaning and metalworking fluids. In select cosmetic or personal care contexts, it may be evaluated as an emulsifier or conditioning additive, and it can be used as a precursor for derivative synthesis in specialty applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.5
    methanol 53.58
    isopropanol 25.38
    water 0.05
    ethyl acetate 26.06
    n-propanol 28.26
    acetone 25.79
    n-butanol 33.23
    acetonitrile 5.44
    DMF 75.71
    toluene 11.43
    isobutanol 26.49
    1,4-dioxane 41.09
    methyl acetate 16.78
    THF 181.16
    2-butanone 29.66
    n-pentanol 32.58
    sec-butanol 25.13
    n-hexane 5.31
    ethylene glycol 4.71
    NMP 199.22
    cyclohexane 12.43
    DMSO 217.09
    n-butyl acetate 63.54
    n-octanol 33.19
    chloroform 71.36
    n-propyl acetate 64.2
    acetic acid 37.36
    dichloromethane 62.34
    cyclohexanone 145.58
    propylene glycol 14.65
    isopropyl acetate 39.82
    DMAc 143.78
    2-ethoxyethanol 71.29
    isopentanol 43.97
    n-heptane 5.88
    ethyl formate 21.44
    1,2-dichloroethane 54.9
    n-hexanol 35.64
    2-methoxyethanol 77.91
    isobutyl acetate 53.1
    tetrachloromethane 19.75
    n-pentyl acetate 86.51
    transcutol 357.28
    n-heptanol 34.87
    ethylbenzene 14.17
    MIBK 57.18
    2-propoxyethanol 85.13
    tert-butanol 50.02
    MTBE 36.45
    2-butoxyethanol 90.4
    propionic acid 31.96
    o-xylene 17.93
    formic acid 16.37
    diethyl ether 18.06
    m-xylene 16.9
    p-xylene 19.15
    chlorobenzene 22.73
    dimethyl carbonate 11.81
    n-octane 3.29
    formamide 22.24
    cyclopentanone 145.57
    2-pentanone 42.39
    anisole 29.73
    cyclopentyl methyl ether 89.4
    gamma-butyrolactone 131.88
    1-methoxy-2-propanol 84.43
    pyridine 39.11
    3-pentanone 30.62
    furfural 106.44
    n-dodecane 2.15
    diethylene glycol 44.89
    diisopropyl ether 15.45
    tert-amyl alcohol 50.96
    acetylacetone 61.42
    n-hexadecane 2.53
    acetophenone 54.69
    methyl propionate 25.56
    isopentyl acetate 76.22
    trichloroethylene 96.17
    n-nonanol 32.79
    cyclohexanol 58.49
    benzyl alcohol 30.77
    2-ethylhexanol 35.02
    isooctanol 37.57
    dipropyl ether 42.17
    1,2-dichlorobenzene 34.94
    ethyl lactate 39.69
    propylene carbonate 81.34
    n-methylformamide 29.17
    2-pentanol 24.7
    n-pentane 2.65
    1-propoxy-2-propanol 88.06
    1-methoxy-2-propyl acetate 80.08
    2-(2-methoxypropoxy) propanol 83.46
    mesitylene 16.77
    ε-caprolactone 130.41
    p-cymene 17.34
    epichlorohydrin 114.26
    1,1,1-trichloroethane 49.7
    2-aminoethanol 18.73
    morpholine-4-carbaldehyde 127.27
    sulfolane 341.89
    2,2,4-trimethylpentane 5.39
    2-methyltetrahydrofuran 99.96
    n-hexyl acetate 85.83
    isooctane 3.64
    2-(2-butoxyethoxy)ethanol 119.55
    sec-butyl acetate 52.8
    tert-butyl acetate 78.83
    decalin 8.83
    glycerin 31.91
    diglyme 227.4
    acrylic acid 22.72
    isopropyl myristate 30.35
    n-butyric acid 73.81
    acetyl acetate 24.45
    di(2-ethylhexyl) phthalate 33.78
    ethyl propionate 45.22
    nitromethane 47.87
    1,2-diethoxyethane 82.24
    benzonitrile 26.53
    trioctyl phosphate 27.13
    1-bromopropane 26.14
    gamma-valerolactone 207.57
    n-decanol 21.31
    triethyl phosphate 42.01
    4-methyl-2-pentanol 26.56
    propionitrile 10.09
    vinylene carbonate 51.71
    1,1,2-trichlorotrifluoroethane 136.79
    DMS 39.31
    cumene 15.96
    2-octanol 27.26
    2-hexanone 57.99
    octyl acetate 37.63
    limonene 28.71
    1,2-dimethoxyethane 112.11
    ethyl orthosilicate 44.78
    tributyl phosphate 34.9
    diacetone alcohol 104.62
    N,N-dimethylaniline 34.03
    acrylonitrile 11.86
    aniline 21.16
    1,3-propanediol 38.46
    bromobenzene 23.38
    dibromomethane 41.74
    1,1,2,2-tetrachloroethane 119.01
    2-methyl-cyclohexyl acetate 74.32
    tetrabutyl urea 51.39
    diisobutyl methanol 27.3
    2-phenylethanol 35.15
    styrene 14.08
    dioctyl adipate 54.57
    dimethyl sulfate 41.82
    ethyl butyrate 62.48
    methyl lactate 31.48
    butyl lactate 82.41
    diethyl carbonate 32.0
    propanediol butyl ether 86.82
    triethyl orthoformate 60.48
    p-tert-butyltoluene 17.95
    methyl 4-tert-butylbenzoate 81.72
    morpholine 81.84
    tert-butylamine 28.41
    n-dodecanol 14.74
    dimethoxymethane 44.0
    ethylene carbonate 45.84
    cyrene 93.17
    2-ethoxyethyl acetate 90.03
    2-ethylhexyl acetate 60.96
    1,2,4-trichlorobenzene 45.36
    4-methylpyridine 38.38
    dibutyl ether 46.32
    2,6-dimethyl-4-heptanol 27.3
    DEF 70.15
    dimethyl isosorbide 166.07
    tetrachloroethylene 84.79
    eugenol 71.75
    triacetin 100.56
    span 80 80.68
    1,4-butanediol 16.49
    1,1-dichloroethane 34.0
    2-methyl-1-pentanol 39.38
    methyl formate 17.04
    2-methyl-1-butanol 36.34
    n-decane 4.75
    butyronitrile 16.96
    3,7-dimethyl-1-octanol 36.96
    1-chlorooctane 23.94
    1-chlorotetradecane 7.32
    n-nonane 4.45
    undecane 2.98
    tert-butylcyclohexane 8.03
    cyclooctane 4.65
    cyclopentanol 60.74
    tetrahydropyran 71.52
    tert-amyl methyl ether 40.94
    2,5,8-trioxanonane 137.68
    1-hexene 15.05
    2-isopropoxyethanol 63.4
    2,2,2-trifluoroethanol 19.24
    methyl butyrate 72.59

    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