1,3-Bisaminomethylcyclohexane 12-hydroxystearic acid

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  • Identifiers

    CAS number
    477760-85-3

    Molecular formula
    C44H86N2O4

    SMILES
    CCCCCCC(CCCCCCCCCCC(=O)NCC1CCCC(C1)CNC(=O)CCCCCCCCCCC(CCCCCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Savory 33.93%
    Meaty 33.25%
    Cooling 31.62%
    Oily 31.46%
    Fishy 30.59%
    Waxy 30.44%
    Herbal 27.94%
    Mint 27.74%
    Fatty 27.68%
    Fresh 27.56%

     

    Flavor
    Bland 32.16%
    Odorless 32.03%
    Mild 31.44%
    Fatty 28.66%
    Waxy 25.2%
    Faint 24.87%
    Slightly waxy 22.18%
    Herbal 21.42%
    Bay oil 21.12%
    Delicate 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    10.27 (weak base)

    Molecular weight
    707.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1748°C

    Flash point

    • 300.95 ˚C est.

  • Synonyms

    • DTXSID401386502
    • 1,3-Bisaminomethylcyclohexane 12-hydroxystearic acid
    • 477760-85-3
    • 477760-85-3

  • Applications

    1,3-Bisaminomethylcyclohexane 12-hydroxystearic acid, CAS 477760-85-3, is a multifunctional building block used in polymer and coating formulations, often serving as a curing agent or crosslinker for epoxy and polyurethane systems; it may be an intermediate in the synthesis of specialty polymers such as polyamides or polyurethane resins. Its combination of amine functionality and a fatty acid moiety also makes it a potential precursor for surfactants or emulsifiers in coatings, cleaners, and personal care products. The fatty acid portion supports use as a thickener or rheology modifier in lubricants and greases. In cosmetics, it may be evaluated as an emulsifier or conditioning additive, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.64
    methanol 5.33
    isopropanol 2.28
    water 0.1
    ethyl acetate 8.11
    n-propanol 4.41
    acetone 7.78
    n-butanol 4.34
    acetonitrile 1.6
    DMF 20.02
    toluene 5.74
    isobutanol 3.32
    1,4-dioxane 13.9
    methyl acetate 6.33
    THF 53.56
    2-butanone 12.47
    n-pentanol 4.61
    sec-butanol 4.09
    n-hexane 0.83
    ethylene glycol 0.66
    NMP 100.41
    cyclohexane 1.57
    DMSO 24.61
    n-butyl acetate 10.45
    n-octanol 6.66
    chloroform 33.59
    n-propyl acetate 9.75
    acetic acid 13.57
    dichloromethane 24.34
    cyclohexanone 41.33
    propylene glycol 1.93
    isopropyl acetate 8.39
    DMAc 67.54
    2-ethoxyethanol 11.27
    isopentanol 4.09
    n-heptane 0.85
    ethyl formate 6.52
    1,2-dichloroethane 12.72
    n-hexanol 3.95
    2-methoxyethanol 11.98
    isobutyl acetate 7.15
    tetrachloromethane 7.12
    n-pentyl acetate 21.75
    transcutol 71.61
    n-heptanol 6.7
    ethylbenzene 4.18
    MIBK 9.0
    2-propoxyethanol 13.91
    tert-butanol 3.09
    MTBE 5.81
    2-butoxyethanol 22.23
    propionic acid 7.79
    o-xylene 5.76
    formic acid 5.83
    diethyl ether 4.34
    m-xylene 4.3
    p-xylene 5.19
    chlorobenzene 9.19
    dimethyl carbonate 6.39
    n-octane 0.56
    formamide 7.18
    cyclopentanone 49.31
    2-pentanone 11.14
    anisole 7.69
    cyclopentyl methyl ether 21.64
    gamma-butyrolactone 53.02
    1-methoxy-2-propanol 11.8
    pyridine 17.34
    3-pentanone 11.45
    furfural 41.92
    n-dodecane 0.33
    diethylene glycol 5.88
    diisopropyl ether 2.09
    tert-amyl alcohol 5.9
    acetylacetone 16.54
    n-hexadecane 0.39
    acetophenone 13.98
    methyl propionate 9.9
    isopentyl acetate 12.28
    trichloroethylene 34.23
    n-nonanol 7.2
    cyclohexanol 8.92
    benzyl alcohol 7.18
    2-ethylhexanol 4.31
    isooctanol 6.07
    dipropyl ether 6.53
    1,2-dichlorobenzene 11.4
    ethyl lactate 8.46
    propylene carbonate 30.26
    n-methylformamide 8.43
    2-pentanol 3.27
    n-pentane 0.57
    1-propoxy-2-propanol 14.26
    1-methoxy-2-propyl acetate 18.18
    2-(2-methoxypropoxy) propanol 22.27
    mesitylene 2.85
    ε-caprolactone 47.17
    p-cymene 3.49
    epichlorohydrin 39.0
    1,1,1-trichloroethane 15.61
    2-aminoethanol 2.47
    morpholine-4-carbaldehyde 46.89
    sulfolane 107.02
    2,2,4-trimethylpentane 0.8
    2-methyltetrahydrofuran 28.26
    n-hexyl acetate 22.07
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 27.87
    sec-butyl acetate 8.75
    tert-butyl acetate 12.98
    decalin 1.17
    glycerin 4.57
    diglyme 54.96
    acrylic acid 7.42
    isopropyl myristate 6.07
    n-butyric acid 14.01
    acetyl acetate 7.41
    di(2-ethylhexyl) phthalate 8.9
    ethyl propionate 9.51
    nitromethane 16.62
    1,2-diethoxyethane 16.47
    benzonitrile 6.29
    trioctyl phosphate 6.06
    1-bromopropane 7.41
    gamma-valerolactone 78.62
    n-decanol 4.07
    triethyl phosphate 10.54
    4-methyl-2-pentanol 2.72
    propionitrile 2.57
    vinylene carbonate 23.49
    1,1,2-trichlorotrifluoroethane 45.45
    DMS 11.36
    cumene 3.34
    2-octanol 5.36
    2-hexanone 11.92
    octyl acetate 8.91
    limonene 5.37
    1,2-dimethoxyethane 19.51
    ethyl orthosilicate 10.74
    tributyl phosphate 7.98
    diacetone alcohol 16.85
    N,N-dimethylaniline 7.75
    acrylonitrile 3.27
    aniline 7.01
    1,3-propanediol 4.39
    bromobenzene 9.24
    dibromomethane 14.34
    1,1,2,2-tetrachloroethane 36.42
    2-methyl-cyclohexyl acetate 14.04
    tetrabutyl urea 12.54
    diisobutyl methanol 2.84
    2-phenylethanol 6.96
    styrene 4.04
    dioctyl adipate 12.37
    dimethyl sulfate 21.11
    ethyl butyrate 11.51
    methyl lactate 9.71
    butyl lactate 21.51
    diethyl carbonate 6.98
    propanediol butyl ether 19.33
    triethyl orthoformate 13.71
    p-tert-butyltoluene 3.42
    methyl 4-tert-butylbenzoate 27.5
    morpholine 21.73
    tert-butylamine 1.96
    n-dodecanol 2.42
    dimethoxymethane 13.18
    ethylene carbonate 18.8
    cyrene 27.84
    2-ethoxyethyl acetate 29.11
    2-ethylhexyl acetate 11.1
    1,2,4-trichlorobenzene 17.13
    4-methylpyridine 14.67
    dibutyl ether 8.13
    2,6-dimethyl-4-heptanol 2.84
    DEF 18.04
    dimethyl isosorbide 44.81
    tetrachloroethylene 23.41
    eugenol 21.03
    triacetin 30.5
    span 80 20.27
    1,4-butanediol 2.13
    1,1-dichloroethane 10.16
    2-methyl-1-pentanol 5.36
    methyl formate 7.1
    2-methyl-1-butanol 5.16
    n-decane 0.86
    butyronitrile 3.34
    3,7-dimethyl-1-octanol 5.47
    1-chlorooctane 4.39
    1-chlorotetradecane 1.17
    n-nonane 0.76
    undecane 0.5
    tert-butylcyclohexane 0.91
    cyclooctane 0.7
    cyclopentanol 10.62
    tetrahydropyran 19.37
    tert-amyl methyl ether 8.51
    2,5,8-trioxanonane 31.6
    1-hexene 2.8
    2-isopropoxyethanol 8.99
    2,2,2-trifluoroethanol 8.54
    methyl butyrate 13.84

    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