2,4,4-Trimethyl-1,6-hexanediamine

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  • Identifiers

    CAS number
    3236-54-2

    Molecular formula
    C9H22N2

    SMILES
    CC(CC(C)(C)CCN)CN

    Safety labels

  • Odor profile

    Fragrance
    Fishy 63.1%
    Cheesy 51.56%
    Ripe 42.68%
    Animal 31.15%
    Meaty 26.89%
    Cooling 25.76%
    Savory 25.52%
    Mint 25.11%
    Sulfurous 24.34%
    Grapefruit 21.97%

     

    Flavor
    Fishy 23.41%
    Mild 23.37%
    Glue 21.88%
    Ammoniacal 21.71%
    Bloody 21.55%
    Delicate 21.51%
    Sulfurous 21.4%
    Yeasty 21.19%
    Leathery 21.18%
    Skunky 21.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.49 (neutral)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 92.21 ˚C est.

  • Synonyms

    • 2,4,4-Trimethylhexane-1,6-diamine
    • 2,4,4-Trimethyl-1,6-hexanediamine
    • 1,6-Hexanediamine, 2,4,4-trimethyl-
    • 2,4,4-trimethylhexamethylenediamine
    • EINECS 221-793-1
    • 595BQ3Q70K
    • UNII-595BQ3Q70K
    • DTXSID30274136
    • 3,3,5-TRIMETHYLHEXAMETHYLENEDIAMINE
    • 2,4,4-TRIMETHYLHEXAMETHYLENE-1,6-DIAMINE
    • RefChem:81979
    • DTXCID0024894
    • 2,4,4Trimethylhexane1,6diamine
    • 1,6Hexanediamine, 2,4,4trimethyl
    • 3236-54-2
    • 1,6-Hexanediamine,2,4,4-trimethyl-
    • DSSTox_CID_24894
    • DSSTox_RID_80565
    • DSSTox_GSID_44894
    • SCHEMBL24396
    • CHEMBL3182194
    • SCHEMBL11772517
    • DPQHRXRAZHNGRU-UHFFFAOYSA-N
    • 1,6-diamino-2,4,4-trimethylhexan
    • Tox21_301729
    • NCGC00256149-01
    • CAS-25620-58-0
    • NS00019716
    • Q27261663
    • 3236-54-2

  • Applications

    2,4,4-Trimethyl-1,6-hexanediamine (CAS 3236-54-2) is used as a building block and chain extender in polymer synthesis, notably in aliphatic polyurethanes and polyamides, enabling tuning of hardness, flexibility, and thermal performance. It also serves as a curing agent for epoxy resins in coatings, adhesives, and electronic encapsulation, improving cure properties and adhesion. As an intermediate for specialty polymers, it supports the development of high-performance materials used in coatings and packaging. In addition, it may be used in the synthesis of specialty chemicals and as a precursor to other diamine-derived polymers or functional additives. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.95
    methanol 301.59
    isopropanol 68.63
    water 18.31
    ethyl acetate 50.04
    n-propanol 115.64
    acetone 60.47
    n-butanol 90.34
    acetonitrile 51.4
    DMF 57.42
    toluene 18.95
    isobutanol 82.53
    1,4-dioxane 82.94
    methyl acetate 54.97
    THF 205.77
    2-butanone 51.45
    n-pentanol 41.41
    sec-butanol 57.77
    n-hexane 3.69
    ethylene glycol 101.75
    NMP 200.19
    cyclohexane 8.56
    DMSO 184.81
    n-butyl acetate 121.44
    n-octanol 31.69
    chloroform 101.32
    n-propyl acetate 40.95
    acetic acid 368.34
    dichloromethane 63.66
    cyclohexanone 158.29
    propylene glycol 110.84
    isopropyl acetate 32.95
    DMAc 63.34
    2-ethoxyethanol 79.42
    isopentanol 70.67
    n-heptane 12.02
    ethyl formate 94.05
    1,2-dichloroethane 35.49
    n-hexanol 137.55
    2-methoxyethanol 196.59
    isobutyl acetate 32.72
    tetrachloromethane 53.99
    n-pentyl acetate 38.54
    transcutol 135.42
    n-heptanol 66.05
    ethylbenzene 7.06
    MIBK 28.94
    2-propoxyethanol 213.39
    tert-butanol 95.09
    MTBE 39.18
    2-butoxyethanol 108.76
    propionic acid 212.73
    o-xylene 17.34
    formic acid 293.03
    diethyl ether 20.14
    m-xylene 19.12
    p-xylene 12.15
    chlorobenzene 41.23
    dimethyl carbonate 24.82
    n-octane 2.84
    formamide 134.03
    cyclopentanone 200.43
    2-pentanone 40.9
    anisole 20.65
    cyclopentyl methyl ether 78.38
    gamma-butyrolactone 287.19
    1-methoxy-2-propanol 96.77
    pyridine 72.91
    3-pentanone 32.96
    furfural 284.88
    n-dodecane 1.75
    diethylene glycol 184.36
    diisopropyl ether 9.39
    tert-amyl alcohol 81.63
    acetylacetone 57.24
    n-hexadecane 1.89
    acetophenone 32.15
    methyl propionate 48.62
    isopentyl acetate 100.42
    trichloroethylene 103.98
    n-nonanol 26.05
    cyclohexanol 89.43
    benzyl alcohol 38.68
    2-ethylhexanol 83.27
    isooctanol 48.69
    dipropyl ether 44.42
    1,2-dichlorobenzene 43.35
    ethyl lactate 43.65
    propylene carbonate 179.03
    n-methylformamide 118.05
    2-pentanol 37.93
    n-pentane 4.36
    1-propoxy-2-propanol 156.78
    1-methoxy-2-propyl acetate 100.97
    2-(2-methoxypropoxy) propanol 60.12
    mesitylene 13.64
    ε-caprolactone 144.05
    p-cymene 24.75
    epichlorohydrin 136.02
    1,1,1-trichloroethane 54.48
    2-aminoethanol 155.14
    morpholine-4-carbaldehyde 141.1
    sulfolane 394.76
    2,2,4-trimethylpentane 5.59
    2-methyltetrahydrofuran 123.44
    n-hexyl acetate 42.97
    isooctane 3.78
    2-(2-butoxyethoxy)ethanol 82.65
    sec-butyl acetate 22.92
    tert-butyl acetate 47.07
    decalin 4.17
    glycerin 183.84
    diglyme 132.29
    acrylic acid 206.24
    isopropyl myristate 13.57
    n-butyric acid 267.25
    acetyl acetate 52.31
    di(2-ethylhexyl) phthalate 35.8
    ethyl propionate 29.7
    nitromethane 232.59
    1,2-diethoxyethane 28.7
    benzonitrile 52.71
    trioctyl phosphate 29.74
    1-bromopropane 19.15
    gamma-valerolactone 252.63
    n-decanol 17.9
    triethyl phosphate 39.36
    4-methyl-2-pentanol 27.22
    propionitrile 52.21
    vinylene carbonate 151.74
    1,1,2-trichlorotrifluoroethane 243.33
    DMS 33.34
    cumene 8.28
    2-octanol 26.38
    2-hexanone 30.01
    octyl acetate 22.68
    limonene 37.95
    1,2-dimethoxyethane 73.95
    ethyl orthosilicate 39.3
    tributyl phosphate 31.0
    diacetone alcohol 78.82
    N,N-dimethylaniline 15.46
    acrylonitrile 70.6
    aniline 55.76
    1,3-propanediol 168.99
    bromobenzene 33.64
    dibromomethane 43.0
    1,1,2,2-tetrachloroethane 80.82
    2-methyl-cyclohexyl acetate 70.11
    tetrabutyl urea 29.75
    diisobutyl methanol 37.21
    2-phenylethanol 77.07
    styrene 8.39
    dioctyl adipate 25.38
    dimethyl sulfate 59.43
    ethyl butyrate 66.98
    methyl lactate 61.48
    butyl lactate 55.9
    diethyl carbonate 43.12
    propanediol butyl ether 76.27
    triethyl orthoformate 57.43
    p-tert-butyltoluene 26.6
    methyl 4-tert-butylbenzoate 59.34
    morpholine 105.17
    tert-butylamine 46.95
    n-dodecanol 12.93
    dimethoxymethane 39.45
    ethylene carbonate 119.68
    cyrene 87.37
    2-ethoxyethyl acetate 46.62
    2-ethylhexyl acetate 73.13
    1,2,4-trichlorobenzene 61.34
    4-methylpyridine 54.16
    dibutyl ether 14.23
    2,6-dimethyl-4-heptanol 37.21
    DEF 39.56
    dimethyl isosorbide 133.87
    tetrachloroethylene 91.47
    eugenol 58.29
    triacetin 52.37
    span 80 72.4
    1,4-butanediol 53.36
    1,1-dichloroethane 30.34
    2-methyl-1-pentanol 38.17
    methyl formate 107.29
    2-methyl-1-butanol 73.33
    n-decane 2.93
    butyronitrile 55.98
    3,7-dimethyl-1-octanol 32.66
    1-chlorooctane 11.72
    1-chlorotetradecane 4.29
    n-nonane 2.83
    undecane 2.18
    tert-butylcyclohexane 5.18
    cyclooctane 3.65
    cyclopentanol 124.54
    tetrahydropyran 72.28
    tert-amyl methyl ether 33.15
    2,5,8-trioxanonane 89.91
    1-hexene 8.22
    2-isopropoxyethanol 49.37
    2,2,2-trifluoroethanol 151.32
    methyl butyrate 45.45

    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