Tris(N-hydroxypropyl) hexahydrotriazine

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  • Identifiers

    CAS number
    25254-50-6

    Molecular formula
    C12H27N3O3

    SMILES
    CC(CN1CN(CN(C1)CC(C)O)CC(C)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.26%
    Fishy 46.55%
    Sweet 27.33%
    Alcoholic 22.54%
    Oily 18.59%
    Animal 17.98%
    Cheesy 17.25%
    Ripe 17.1%
    Savory 17.03%
    Cooling 16.81%

     

    Flavor
    Odorless 43.27%
    Bitter 37.72%
    Mild 26.92%
    Sweet-like 24.1%
    Bland 21.67%
    Bouillon 20.21%
    Very slight 19.74%
    Yeasty 19.71%
    Alkaline 19.68%
    Cauliflower 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    8.09 (weak base)

    Molecular weight
    261.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    417°C

    Flash point

    • 196.74 ˚C est.

  • Synonyms

    • 25254-50-6
    • Hexahydro-1,3,5-tris(2-hydroxypropyl)-s-triazine
    • Caswell No. 481D
    • Tris(N-hydroxypropyl) hexahydrotriazine
    • UNII-27WL11IG5V
    • 27WL11IG5V
    • GROTAN WS
    • EINECS 246-764-0
    • EPA Pesticide Chemical Code 105601
    • DTXSID4042042
    • 1,3,5-Tris(beta-hydroxypropyl)hexahydrotriazine
    • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, alpha,alpha',alpha''-trimethyl-
    • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, alpha1,alpha3,alpha5-trimethyl-
    • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, .alpha.,.alpha.',.alpha.''-trimethyl-
    • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, .alpha.1,.alpha.3,.alpha.5-trimethyl-
    • 1,3,5-TRIS(2-HYDROXYPROPYL)HEXAHYDRO-S-TRIAZINE
    • RefChem:192140
    • DTXCID2022042
    • (+-)-TRIS(N-HYDROXYPROPYL) HEXAHYDROTRIAZINE
    • TRIS(N-HYDROXYPROPYL) HEXAHYDROTRIAZINE [INCI]
    • TRIS(N-HYDROXYPROPYL) HEXAHYDROTRIAZINE, (+-)-
    • 246-764-0
    • alpha,alpha',alpha''-Trimethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol
    • 1-[3,5-bis(2-hydroxypropyl)-1,3,5-triazinan-1-yl]propan-2-ol
    • SCHEMBL1877599
    • QUGSRMKLRLHUHU-UHFFFAOYSA-N
    • AKOS025296209
    • NS00009860
    • (+/-)-TRIS(N-HYDROXYPROPYL) HEXAHYDROTRIAZINE
    • Q27254240
    • TRIS(N-HYDROXYPROPYL) HEXAHYDROTRIAZINE, (+/-)-
    • 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tri(propan-2-ol)
    • 25254-50-6

  • Applications

    Tris(N-hydroxypropyl) hexahydrotriazine is a multifunctional chemical used as a crosslinking and curing agent in polymer formulations, including epoxy and polyurethane systems, to improve film hardness, chemical resistance, and adhesion. It also serves as an intermediate for synthesizing specialty polymers and resins (notably polyols and related crosslinkers) and can act as a stabilizer or chelating additive in cleaning products and detergents due to its polyol-rich structure. In coatings, inks, and adhesives, it may act as a reactive compatibilizer or coupling agent to improve formulation performance, and it is often evaluated for use in electronics encapsulation resins and other advanced coating applications, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.0
    methanol 261.49
    isopropanol 13.37
    water 1797.65
    ethyl acetate 4.26
    n-propanol 42.57
    acetone 1.95
    n-butanol 18.2
    acetonitrile 6.1
    DMF 35.01
    toluene 1.56
    isobutanol 14.28
    1,4-dioxane 11.71
    methyl acetate 4.87
    THF 14.72
    2-butanone 2.78
    n-pentanol 9.88
    sec-butanol 10.64
    n-hexane 0.66
    ethylene glycol 304.29
    NMP 145.41
    cyclohexane 1.3
    DMSO 40.54
    n-butyl acetate 5.31
    n-octanol 4.26
    chloroform 19.0
    n-propyl acetate 4.53
    acetic acid 510.23
    dichloromethane 15.92
    cyclohexanone 14.48
    propylene glycol 184.13
    isopropyl acetate 2.01
    DMAc 44.6
    2-ethoxyethanol 57.1
    isopentanol 6.04
    n-heptane 1.17
    ethyl formate 17.42
    1,2-dichloroethane 6.32
    n-hexanol 12.27
    2-methoxyethanol 142.74
    isobutyl acetate 2.96
    tetrachloromethane 5.98
    n-pentyl acetate 3.85
    transcutol 44.87
    n-heptanol 9.0
    ethylbenzene 1.15
    MIBK 1.08
    2-propoxyethanol 57.55
    tert-butanol 6.52
    MTBE 1.07
    2-butoxyethanol 36.44
    propionic acid 117.94
    o-xylene 2.08
    formic acid 2037.68
    diethyl ether 1.9
    m-xylene 1.71
    p-xylene 1.77
    chlorobenzene 2.99
    dimethyl carbonate 5.16
    n-octane 0.45
    formamide 673.01
    cyclopentanone 16.67
    2-pentanone 1.78
    anisole 2.0
    cyclopentyl methyl ether 6.36
    gamma-butyrolactone 57.93
    1-methoxy-2-propanol 41.74
    pyridine 13.43
    3-pentanone 2.37
    furfural 75.18
    n-dodecane 0.25
    diethylene glycol 116.55
    diisopropyl ether 0.53
    tert-amyl alcohol 7.08
    acetylacetone 2.78
    n-hexadecane 0.26
    acetophenone 4.87
    methyl propionate 7.39
    isopentyl acetate 3.85
    trichloroethylene 15.45
    n-nonanol 4.09
    cyclohexanol 17.32
    benzyl alcohol 10.94
    2-ethylhexanol 4.96
    isooctanol 5.33
    dipropyl ether 3.46
    1,2-dichlorobenzene 4.07
    ethyl lactate 18.16
    propylene carbonate 34.22
    n-methylformamide 102.08
    2-pentanol 4.6
    n-pentane 0.75
    1-propoxy-2-propanol 24.98
    1-methoxy-2-propyl acetate 8.28
    2-(2-methoxypropoxy) propanol 17.97
    mesitylene 1.16
    ε-caprolactone 32.82
    p-cymene 2.01
    epichlorohydrin 21.81
    1,1,1-trichloroethane 3.23
    2-aminoethanol 325.19
    morpholine-4-carbaldehyde 89.86
    sulfolane 91.17
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 9.15
    n-hexyl acetate 4.18
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 25.06
    sec-butyl acetate 2.14
    tert-butyl acetate 1.76
    decalin 0.57
    glycerin 386.87
    diglyme 28.81
    acrylic acid 188.44
    isopropyl myristate 1.24
    n-butyric acid 64.09
    acetyl acetate 4.52
    di(2-ethylhexyl) phthalate 6.25
    ethyl propionate 4.25
    nitromethane 105.05
    1,2-diethoxyethane 3.47
    benzonitrile 6.99
    trioctyl phosphate 3.89
    1-bromopropane 2.7
    gamma-valerolactone 63.28
    n-decanol 2.8
    triethyl phosphate 6.05
    4-methyl-2-pentanol 2.14
    propionitrile 5.97
    vinylene carbonate 41.16
    1,1,2-trichlorotrifluoroethane 156.66
    DMS 5.76
    cumene 1.31
    2-octanol 3.2
    2-hexanone 1.95
    octyl acetate 2.42
    limonene 2.28
    1,2-dimethoxyethane 16.11
    ethyl orthosilicate 5.76
    tributyl phosphate 4.39
    diacetone alcohol 6.63
    N,N-dimethylaniline 3.26
    acrylonitrile 12.72
    aniline 8.77
    1,3-propanediol 162.51
    bromobenzene 1.94
    dibromomethane 9.02
    1,1,2,2-tetrachloroethane 15.63
    2-methyl-cyclohexyl acetate 6.72
    tetrabutyl urea 5.56
    diisobutyl methanol 1.98
    2-phenylethanol 10.71
    styrene 1.08
    dioctyl adipate 3.28
    dimethyl sulfate 14.43
    ethyl butyrate 4.77
    methyl lactate 29.07
    butyl lactate 14.6
    diethyl carbonate 4.39
    propanediol butyl ether 34.61
    triethyl orthoformate 6.26
    p-tert-butyltoluene 1.98
    methyl 4-tert-butylbenzoate 8.55
    morpholine 29.93
    tert-butylamine 2.98
    n-dodecanol 1.98
    dimethoxymethane 9.62
    ethylene carbonate 27.01
    cyrene 46.21
    2-ethoxyethyl acetate 6.14
    2-ethylhexyl acetate 3.64
    1,2,4-trichlorobenzene 6.4
    4-methylpyridine 6.67
    dibutyl ether 1.46
    2,6-dimethyl-4-heptanol 1.98
    DEF 9.67
    dimethyl isosorbide 28.31
    tetrachloroethylene 18.45
    eugenol 16.65
    triacetin 9.88
    span 80 23.42
    1,4-butanediol 63.31
    1,1-dichloroethane 2.76
    2-methyl-1-pentanol 4.78
    methyl formate 47.92
    2-methyl-1-butanol 9.69
    n-decane 0.42
    butyronitrile 4.85
    3,7-dimethyl-1-octanol 2.66
    1-chlorooctane 1.13
    1-chlorotetradecane 0.48
    n-nonane 0.42
    undecane 0.31
    tert-butylcyclohexane 0.48
    cyclooctane 0.65
    cyclopentanol 27.75
    tetrahydropyran 6.81
    tert-amyl methyl ether 1.81
    2,5,8-trioxanonane 22.73
    1-hexene 1.22
    2-isopropoxyethanol 19.65
    2,2,2-trifluoroethanol 328.64
    methyl butyrate 6.48

    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