Trimethylolpropane

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  • Identifiers

    CAS number
    77-99-6

    Molecular formula
    C6H14O3

    SMILES
    CCC(CO)(CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 46.38%
    Odorless 42.43%
    Sweet 37.81%
    Fruity 36.42%
    Fermented 28.17%
    Oily 27.57%
    Ethereal 26.62%
    Solvent 25.04%
    Fishy 20.6%
    Buttery 20.0%

     

    Flavor
    Sweet 56.12%
    Odorless 37.8%
    Bitter 37.08%
    Alcoholic 27.88%
    Sweet-like 25.55%
    Musty 24.38%
    Fruity 24.13%
    Fruit 23.28%
    Very slight 21.99%
    Mild 21.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.41 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 58 °C

    Boiling point

    • 160 °C @ 5 MM HG
    • 292-297 °C

    Flash point

    • 154.31 ˚C est.
    • 172 °C c.c.

    Solubility expt.

    • SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE
    • Solubility in water at 20 °C: miscible

  • Synonyms

    • Trimethylolpropane
    • 77-99-6
    • 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
    • 1,1,1-TRIS(HYDROXYMETHYL)PROPANE
    • Ethriol
    • Hexaglycerine
    • Etriol
    • Ettriol
    • TMP (alcohol)
    • Propylidynetrimethanol
    • 1,1,1-Trimethylolpropane
    • Ethyltrimethylolmethane
    • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
    • Tri(hydroxymethyl)propane
    • Tris(hydroxymethyl)propane
    • 2,2-Bis(hydroxymethyl)-1-butanol
    • Methanol, (propanetriyl)tris-
    • 2-Ethyl-2-(hydroxymethyl)propanediol
    • Propane, 1,1,1-tris(hydroxymethyl)-
    • 090GDF4HBD
    • DTXSID2026448
    • NSC-3576
    • DTXCID806448
    • 201-074-9
    • RefChem:9355
    • 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
    • Trimethylol propane
    • 1,1,1-Tri(hydroxymethyl)propane
    • 2-Ethyl-2-hydroxymethyl-1,3-propanediol
    • NSC 3576
    • MFCD00004694
    • Propanediol, 2-ethyl-2-(hydroxymethyl)-, 1,3-
    • HSDB 5218
    • EINECS 201-074-9
    • UNII-090GDF4HBD
    • BRN 1698309
    • AI3-24124
    • trimethylol-propane
    • 9D2
    • 1,1-Trimethylolpropane
    • Ethyl-2-(hydroxymethyl)-1,3-propanediol
    • trimethylolpropane (TMP)
    • EC 201-074-9
    • Oprea1_508416
    • SCHEMBL15026
    • 4-01-00-02786 (Beilstein Handbook Reference)
    • SCHEMBL151895
    • SCHEMBL4379385
    • 1,1-Tris(hydroxymethyl)propane
    • CHEMBL3185136
    • SCHEMBL11821003
    • SCHEMBL29254240
    • NSC3576
    • CHEBI:183310
    • 1, 2-ethyl-2-(hydroxymethyl)-
    • Propane,1,1-tris(hydroxymethyl)-
    • Butanol, 2,2-bis(hydroxymethyl)-
    • AAA07799
    • BB_SC-07052
    • Tox21_200028
    • BBL012231
    • SBB061433
    • STL163569
    • AKOS005715709
    • MSK163558-100M
    • CAS-77-99-6
    • NCGC00248497-01
    • NCGC00257582-01
    • 1,1,1-Tris(hydroxymethyl)propane, 97%
    • VS-03244
    • 2-Ethyl-2-hydroxymethyl-propan-1,3-diol
    • 2-ethyl-2-hydroxymethyl-propane-1,3-diol
    • NS00005050
    • ST51047451
    • T0480
    • 2-ethyl-2-hydroxymethyl-1,3-dihydroxypropane
    • EN300-19329
    • 1,1,1-TRIS(HYDROXYMETHYL)PROPANE [HSDB]
    • F242642
    • Q161270
    • Trimethylolpropane Solution in Methanol, 100ug/mL
    • F0001-1980
    • Z104473550
    • 1,1,1-Tris(hydroxymethyl)propane, dist., >=98.0% (GC)
    • InChI=1/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H
    • 77-99-6

  • Applications

    Trimethylolpropane (CAS 77-99-6) is a multifunctional polyol widely used as a crosslinking agent in polyurethane and polyester/alkyd resin systems, enhancing network formation, hardness, and chemical resistance in industrial coatings and adhesives. It serves as a key intermediate for alkyd resins and unsaturated polyester resins used in paints and finished goods. TMP is also used to prepare glycidyl ether derivatives for epoxy resin formulations and acrylate derivatives such as trimethylolpropane triacrylate (TMPTA) used in UV-curable coatings and inks. In adhesive and sealant formulations, TMP improves crosslink density and performance. Additionally, TMP derivatives enable high-performance UV-curable systems and can act as monomers or crosslinking agents in other polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.59
    methanol 55.56
    isopropanol 18.08
    water 25.93
    ethyl acetate 7.13
    n-propanol 30.99
    acetone 3.62
    n-butanol 33.46
    acetonitrile 2.23
    DMF 32.0
    toluene 0.58
    isobutanol 21.41
    1,4-dioxane 39.48
    methyl acetate 7.01
    THF 54.93
    2-butanone 6.62
    n-pentanol 12.27
    sec-butanol 22.22
    n-hexane 0.89
    ethylene glycol 44.89
    NMP 72.43
    cyclohexane 2.17
    DMSO 84.44
    n-butyl acetate 7.38
    n-octanol 11.26
    chloroform 9.33
    n-propyl acetate 5.23
    acetic acid 77.0
    dichloromethane 6.56
    cyclohexanone 21.39
    propylene glycol 42.75
    isopropyl acetate 6.11
    DMAc 31.47
    2-ethoxyethanol 41.18
    isopentanol 21.56
    n-heptane 2.25
    ethyl formate 9.33
    1,2-dichloroethane 5.31
    n-hexanol 17.62
    2-methoxyethanol 87.63
    isobutyl acetate 4.09
    tetrachloromethane 5.19
    n-pentyl acetate 7.8
    transcutol 81.59
    n-heptanol 15.41
    ethylbenzene 0.78
    MIBK 7.83
    2-propoxyethanol 41.2
    tert-butanol 28.27
    MTBE 8.47
    2-butoxyethanol 32.68
    propionic acid 40.75
    o-xylene 1.54
    formic acid 115.07
    diethyl ether 6.08
    m-xylene 1.24
    p-xylene 1.2
    chlorobenzene 1.9
    dimethyl carbonate 3.96
    n-octane 0.99
    formamide 85.9
    cyclopentanone 29.81
    2-pentanone 6.86
    anisole 2.98
    cyclopentyl methyl ether 15.42
    gamma-butyrolactone 53.75
    1-methoxy-2-propanol 49.58
    pyridine 6.51
    3-pentanone 5.59
    furfural 39.37
    n-dodecane 0.66
    diethylene glycol 56.26
    diisopropyl ether 3.31
    tert-amyl alcohol 28.64
    acetylacetone 9.4
    n-hexadecane 0.7
    acetophenone 5.31
    methyl propionate 7.92
    isopentyl acetate 8.3
    trichloroethylene 10.8
    n-nonanol 10.57
    cyclohexanol 26.19
    benzyl alcohol 6.58
    2-ethylhexanol 10.81
    isooctanol 12.98
    dipropyl ether 7.51
    1,2-dichlorobenzene 3.41
    ethyl lactate 11.07
    propylene carbonate 24.69
    n-methylformamide 26.48
    2-pentanol 16.07
    n-pentane 1.27
    1-propoxy-2-propanol 29.52
    1-methoxy-2-propyl acetate 14.19
    2-(2-methoxypropoxy) propanol 26.3
    mesitylene 1.73
    ε-caprolactone 26.87
    p-cymene 2.91
    epichlorohydrin 27.07
    1,1,1-trichloroethane 5.12
    2-aminoethanol 66.77
    morpholine-4-carbaldehyde 60.8
    sulfolane 109.68
    2,2,4-trimethylpentane 1.52
    2-methyltetrahydrofuran 25.74
    n-hexyl acetate 10.89
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 36.99
    sec-butyl acetate 4.32
    tert-butyl acetate 11.0
    decalin 1.17
    glycerin 102.9
    diglyme 55.48
    acrylic acid 43.57
    isopropyl myristate 5.12
    n-butyric acid 40.48
    acetyl acetate 6.09
    di(2-ethylhexyl) phthalate 7.6
    ethyl propionate 5.32
    nitromethane 34.54
    1,2-diethoxyethane 10.4
    benzonitrile 3.93
    trioctyl phosphate 7.45
    1-bromopropane 2.83
    gamma-valerolactone 52.88
    n-decanol 7.29
    triethyl phosphate 7.97
    4-methyl-2-pentanol 10.97
    propionitrile 3.94
    vinylene carbonate 17.47
    1,1,2-trichlorotrifluoroethane 58.54
    DMS 7.6
    cumene 1.39
    2-octanol 8.26
    2-hexanone 4.57
    octyl acetate 6.46
    limonene 5.2
    1,2-dimethoxyethane 29.03
    ethyl orthosilicate 7.67
    tributyl phosphate 7.19
    diacetone alcohol 28.05
    N,N-dimethylaniline 3.78
    acrylonitrile 4.82
    aniline 4.41
    1,3-propanediol 83.19
    bromobenzene 1.36
    dibromomethane 4.51
    1,1,2,2-tetrachloroethane 13.73
    2-methyl-cyclohexyl acetate 10.06
    tetrabutyl urea 9.24
    diisobutyl methanol 8.47
    2-phenylethanol 9.39
    styrene 0.67
    dioctyl adipate 8.56
    dimethyl sulfate 14.49
    ethyl butyrate 7.75
    methyl lactate 17.78
    butyl lactate 14.8
    diethyl carbonate 5.28
    propanediol butyl ether 31.16
    triethyl orthoformate 8.5
    p-tert-butyltoluene 3.32
    methyl 4-tert-butylbenzoate 17.94
    morpholine 52.24
    tert-butylamine 14.17
    n-dodecanol 5.25
    dimethoxymethane 14.71
    ethylene carbonate 14.61
    cyrene 35.19
    2-ethoxyethyl acetate 10.56
    2-ethylhexyl acetate 6.56
    1,2,4-trichlorobenzene 5.29
    4-methylpyridine 3.54
    dibutyl ether 5.13
    2,6-dimethyl-4-heptanol 8.47
    DEF 15.47
    dimethyl isosorbide 40.82
    tetrachloroethylene 14.03
    eugenol 18.41
    triacetin 14.5
    span 80 28.37
    1,4-butanediol 26.43
    1,1-dichloroethane 3.03
    2-methyl-1-pentanol 11.22
    methyl formate 15.34
    2-methyl-1-butanol 22.76
    n-decane 1.09
    butyronitrile 4.8
    3,7-dimethyl-1-octanol 10.24
    1-chlorooctane 3.54
    1-chlorotetradecane 1.54
    n-nonane 1.02
    undecane 0.81
    tert-butylcyclohexane 1.26
    cyclooctane 1.1
    cyclopentanol 36.83
    tetrahydropyran 18.27
    tert-amyl methyl ether 9.93
    2,5,8-trioxanonane 43.13
    1-hexene 1.51
    2-isopropoxyethanol 21.81
    2,2,2-trifluoroethanol 49.95
    methyl butyrate 7.96

    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