Trimethylolethane

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  • Identifiers

    CAS number
    77-85-0

    Molecular formula
    C5H12O3

    SMILES
    CC(CO)(CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 45.37%
    Odorless 45.34%
    Fruity 33.4%
    Sweet 32.08%
    Ethereal 29.35%
    Fermented 29.24%
    Oily 24.41%
    Solvent 23.87%
    Fishy 20.25%
    Pungent 19.64%

     

    Flavor
    Sweet 53.6%
    Bitter 46.43%
    Odorless 36.75%
    Alcoholic 33.28%
    Musty 28.07%
    Sweet-like 24.57%
    Very slight 22.13%
    Pungent 21.66%
    Fruit 21.46%
    Fruity 20.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    7.38 (neutral)

    Molecular weight
    120.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 204 °C

    Boiling point

    • 283 °C
    • BP: 137 °C at 15 mm Hg

    Flash point

    • 158.6 ˚C est.

    Solubility expt.

    • Miscible in water and ethanol; insoluble in diethyl ether and benzene; very soluble in acetic acid
    • Soluble in water and ethanol
    • In water, 140 g per 100 g at 25 °C

  • Synonyms

    • 1,1,1-TRIS(HYDROXYMETHYL)ETHANE
    • 77-85-0
    • Trimethylolethane
    • Methriol
    • Metriol
    • Pentaglycerine
    • Methyltrimethanolmethane
    • Ethylidynetrimethanol
    • Tris(hydroxymethyl)ethane
    • 1,1,1-Trimethylolethane
    • Methyltrimethylolmethane
    • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-
    • 1,1,1-Trimethanolethane
    • 1,1,1-Tris(methylol)ethane
    • Ethane, 1,1,1-tris(hydroxymethyl)-
    • 5D10NYN23W
    • NSC-65581
    • RefChem:409523
    • 201-063-9
    • 2-(hydroxymethyl)-2-methylpropane-1,3-diol
    • Trimet
    • MFCD00004687
    • 2-Hydroxymethyl-2-methyl-1,3-propanediol
    • 2-(Hydroxymethyl)-2-methyl-1,3-propanediol
    • NSC 65581
    • TME
    • DTXSID2026444
    • CCRIS 8975
    • HSDB 5217
    • EINECS 201-063-9
    • UNII-5D10NYN23W
    • TRIMETHLOLETHANE
    • 1,1-Trimethanolethane
    • 1,1-Trimethylolethane
    • tris-(hydroxymethyl)ethane
    • 2-(hydroxymethyl)-2-methyl-propane-1,3-diol
    • 1,1-Tris(methylol)ethane
    • NCIOpen2_000185
    • SCHEMBL15314
    • 1,1-Tris(hydroxymethyl)ethane
    • DTXCID206444
    • SCHEMBL2063859
    • SCHEMBL7282959
    • SCHEMBL8582667
    • SCHEMBL9290864
    • 1,1,1-trishydroxymethyl ethane
    • SCHEMBL10523808
    • Ethane,1,1-tris(hydroxymethyl)-
    • 1, 2-(hydroxymethyl)-2-methyl-
    • NSC65581
    • Tox21_201125
    • SBB060191
    • AKOS000121920
    • CAS-77-85-0
    • NCGC00248929-01
    • NCGC00258677-01
    • BS-18148
    • FT157944
    • SY004547
    • 1,1,1-Tris(hydroxymethyl)ethane, >=98%
    • 2-(hydroxymethyl)-2-methyl-1,3propanediol
    • NS00019752
    • ST51046423
    • T0479
    • EN300-30501
    • E80448
    • F095815
    • Q3460226
    • F0001-1978
    • Z299622542
    • InChI=1/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H
    • 77-85-0

  • Applications

    Trimethylolethane is a multifunctional polyol used primarily as a crosslinking agent in polyurethane formulations (foams, coatings, and elastomers). It is also used as a polyol component for epoxy resins and for polyester/alkyd resin syntheses to improve adhesion and durability. Additionally, it is applied in UV-curable coating systems and other high‑molecular‑weight resin applications, and serves as a building block for adhesives and sealants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.27
    methanol 68.92
    isopropanol 25.83
    water 141.97
    ethyl acetate 4.38
    n-propanol 45.54
    acetone 3.65
    n-butanol 48.5
    acetonitrile 2.12
    DMF 51.74
    toluene 0.47
    isobutanol 26.72
    1,4-dioxane 15.67
    methyl acetate 5.34
    THF 28.61
    2-butanone 6.1
    n-pentanol 12.45
    sec-butanol 30.46
    n-hexane 0.8
    ethylene glycol 69.71
    NMP 63.03
    cyclohexane 1.65
    DMSO 54.65
    n-butyl acetate 2.72
    n-octanol 7.81
    chloroform 6.41
    n-propyl acetate 2.77
    acetic acid 86.26
    dichloromethane 3.93
    cyclohexanone 11.41
    propylene glycol 72.29
    isopropyl acetate 3.5
    DMAc 40.48
    2-ethoxyethanol 37.37
    isopentanol 21.64
    n-heptane 1.79
    ethyl formate 7.48
    1,2-dichloroethane 2.69
    n-hexanol 10.93
    2-methoxyethanol 93.81
    isobutyl acetate 2.04
    tetrachloromethane 3.66
    n-pentyl acetate 3.95
    transcutol 50.34
    n-heptanol 11.85
    ethylbenzene 0.47
    MIBK 5.45
    2-propoxyethanol 27.44
    tert-butanol 25.36
    MTBE 5.96
    2-butoxyethanol 25.67
    propionic acid 41.76
    o-xylene 1.02
    formic acid 162.15
    diethyl ether 5.38
    m-xylene 0.84
    p-xylene 0.72
    chlorobenzene 0.84
    dimethyl carbonate 3.53
    n-octane 0.81
    formamide 120.53
    cyclopentanone 17.71
    2-pentanone 5.75
    anisole 1.66
    cyclopentyl methyl ether 9.58
    gamma-butyrolactone 24.18
    1-methoxy-2-propanol 54.15
    pyridine 4.52
    3-pentanone 4.83
    furfural 20.72
    n-dodecane 0.44
    diethylene glycol 41.8
    diisopropyl ether 2.28
    tert-amyl alcohol 26.82
    acetylacetone 5.43
    n-hexadecane 0.45
    acetophenone 2.86
    methyl propionate 6.93
    isopentyl acetate 3.03
    trichloroethylene 5.47
    n-nonanol 6.93
    cyclohexanol 22.3
    benzyl alcohol 4.35
    2-ethylhexanol 5.77
    isooctanol 8.89
    dipropyl ether 4.4
    1,2-dichlorobenzene 1.32
    ethyl lactate 7.77
    propylene carbonate 11.4
    n-methylformamide 37.44
    2-pentanol 20.01
    n-pentane 1.52
    1-propoxy-2-propanol 18.71
    1-methoxy-2-propyl acetate 6.15
    2-(2-methoxypropoxy) propanol 16.76
    mesitylene 1.03
    ε-caprolactone 13.9
    p-cymene 1.4
    epichlorohydrin 12.99
    1,1,1-trichloroethane 2.48
    2-aminoethanol 99.05
    morpholine-4-carbaldehyde 40.74
    sulfolane 55.47
    2,2,4-trimethylpentane 1.23
    2-methyltetrahydrofuran 14.16
    n-hexyl acetate 5.56
    isooctane 0.89
    2-(2-butoxyethoxy)ethanol 25.02
    sec-butyl acetate 2.3
    tert-butyl acetate 5.66
    decalin 0.67
    glycerin 145.89
    diglyme 33.51
    acrylic acid 45.98
    isopropyl myristate 2.42
    n-butyric acid 37.0
    acetyl acetate 3.36
    di(2-ethylhexyl) phthalate 3.97
    ethyl propionate 3.23
    nitromethane 28.91
    1,2-diethoxyethane 4.86
    benzonitrile 1.9
    trioctyl phosphate 3.97
    1-bromopropane 2.02
    gamma-valerolactone 29.37
    n-decanol 4.63
    triethyl phosphate 3.82
    4-methyl-2-pentanol 9.66
    propionitrile 3.69
    vinylene carbonate 8.66
    1,1,2-trichlorotrifluoroethane 41.45
    DMS 3.33
    cumene 0.77
    2-octanol 5.91
    2-hexanone 2.92
    octyl acetate 3.41
    limonene 2.54
    1,2-dimethoxyethane 18.51
    ethyl orthosilicate 3.84
    tributyl phosphate 3.43
    diacetone alcohol 18.17
    N,N-dimethylaniline 2.35
    acrylonitrile 4.4
    aniline 3.69
    1,3-propanediol 109.66
    bromobenzene 0.55
    dibromomethane 2.78
    1,1,2,2-tetrachloroethane 6.86
    2-methyl-cyclohexyl acetate 4.37
    tetrabutyl urea 4.89
    diisobutyl methanol 4.62
    2-phenylethanol 4.53
    styrene 0.41
    dioctyl adipate 4.16
    dimethyl sulfate 10.25
    ethyl butyrate 3.64
    methyl lactate 16.51
    butyl lactate 9.47
    diethyl carbonate 2.37
    propanediol butyl ether 26.79
    triethyl orthoformate 4.02
    p-tert-butyltoluene 1.67
    methyl 4-tert-butylbenzoate 10.49
    morpholine 31.53
    tert-butylamine 12.82
    n-dodecanol 3.29
    dimethoxymethane 14.65
    ethylene carbonate 6.94
    cyrene 25.38
    2-ethoxyethyl acetate 5.32
    2-ethylhexyl acetate 2.3
    1,2,4-trichlorobenzene 2.15
    4-methylpyridine 2.42
    dibutyl ether 2.82
    2,6-dimethyl-4-heptanol 4.62
    DEF 14.0
    dimethyl isosorbide 21.45
    tetrachloroethylene 7.47
    eugenol 11.62
    triacetin 7.85
    span 80 18.43
    1,4-butanediol 31.5
    1,1-dichloroethane 1.98
    2-methyl-1-pentanol 8.38
    methyl formate 15.63
    2-methyl-1-butanol 26.8
    n-decane 0.78
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 5.8
    1-chlorooctane 1.94
    1-chlorotetradecane 0.83
    n-nonane 0.77
    undecane 0.55
    tert-butylcyclohexane 0.75
    cyclooctane 0.92
    cyclopentanol 31.31
    tetrahydropyran 10.43
    tert-amyl methyl ether 7.45
    2,5,8-trioxanonane 25.4
    1-hexene 1.22
    2-isopropoxyethanol 17.51
    2,2,2-trifluoroethanol 60.78
    methyl butyrate 4.63

    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