1,3,5-Trioxane

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  • Identifiers

    CAS number
    110-88-3

    Molecular formula
    C3H6O3

    SMILES
    C1OCOCO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 54.01%
    Ethereal 36.79%
    Aromatic 25.83%
    Animal 23.0%
    Fruity 21.38%
    Pungent 20.56%
    Earthy 19.62%
    Solvent 19.44%
    Alcoholic 18.7%
    Green 18.42%

     

    Flavor
    Sweet 47.36%
    Bitter 35.47%
    Fatty 22.8%
    Oily 21.45%
    Naphthalic 20.7%
    Cauliflower 20.3%
    Alkaline 20.26%
    Caramel 20.04%
    Vegetable 19.96%
    Cereal 19.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    6.29 (neutral)

    Molecular weight
    90.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 147 °F (NTP, 1992)
    • 64 °C

    Boiling point

    • 238.1 °F at 759 mmHg (NTP, 1992)
    • 114.5 °C @ 759 MM HG

    Flash point

    • 34.07 ˚C est.
    • 113 °F (NTP, 1992)
    • 45 °C

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • SOL IN WATER: 17.2 G/100 ML @ 18 °C, 21.2 @ 25 °C; EASILY SOL IN ALC, KETONES, ETHER, ACETONE, ORG SOLVENTS, CHLORINATED & AROMATIC HYDROCARBONS; SLIGHTLY SOL IN PENTANE, PETROLEUM ETHER, LOWER PARAFFINS
    • SOL IN BENZENE, CARBON TETRACHLORIDE, CHLOROFORM, CARBON DISULFIDE

  • Synonyms

    • 1,3,5-TRIOXANE
    • s-Trioxane
    • 110-88-3
    • Trioxymethylene
    • Trioxane
    • Metaformaldehyde
    • Triformol
    • Formaldehyde, trimer
    • Trioxan
    • sym-Trioxane
    • Aldeform
    • Marvosan
    • 1,3,5-Trioxacyclohexane
    • s-Trixane
    • Triossimetilene
    • Trioxymethyleen
    • Trioxymethylen
    • Formagene
    • Trioxin
    • 1,3,5-Trioxan
    • Trioxymethyleen [Dutch]
    • Trioxymethylen [German]
    • Triossimetilene [Italian]
    • NSC 26347
    • Paraformal
    • CCRIS 4732
    • DTXSID4021925
    • HSDB 3416
    • EINECS 203-812-5
    • 46BNU65YNY
    • CHEBI:38043
    • AI3-01363
    • S-TRIOXANE [MI]
    • DTXCID501925
    • EC 203-812-5
    • 1,3,5-TRIOXANE [HSDB]
    • NSC-26347
    • TRIOXYMETHYLEEN (DUTCH)
    • TRIOXYMETHYLEN (GERMAN)
    • TRIOSSIMETILENE (ITALIAN)
    • UNII-46BNU65YNY
    • strioxane
    • trioxanes
    • s-Trioxan
    • Flo-Mor
    • 1,5-Trioxane
    • MFCD00006563
    • 1,5-Trioxan
    • 1.3,5-trioxane
    • 1,3,5Trioxan
    • 1,5-Trioxacyclohexane
    • 1,3,5Trioxacyclohexane
    • WLN: T6O CO EOTJ
    • 1,3,5-Trioxane anhydrous
    • CHEMBL1495792
    • CHEBI:38044
    • 1,3,5-Trioxane, >=99%
    • BCP23012
    • NSC26347
    • Tox21_200942
    • BBL011407
    • STL146511
    • AKOS005721175
    • BCP9000037
    • NCGC00091660-02
    • NCGC00258496-01
    • CAS-110-88-3
    • NS00010139
    • T0505
    • E78845
    • 1,3,5-Trioxane 100 microg/mL in Acetonitrile
    • Q424104
    • F0001-0229
    • 203-812-5

  • Applications

    1,3,5-Trioxane (CAS 110-88-3) is a stable solid formaldehyde donor used primarily as a formaldehyde source in the manufacture of resins such as phenol-formaldehyde, urea-formaldehyde, and melamine-formaldehyde. It also serves as a key precursor for polyoxymethylene (POM) engineering plastics under acid-catalyzed polymerization. Additionally, it functions as an intermediate in the synthesis of acetals and other formaldehyde-derived compounds. In laboratory and process settings, it can be employed as a controlled formaldehyde source for various chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 861.03
    methanol 1118.68
    isopropanol 839.1
    water 759.95
    ethyl acetate 256.03
    n-propanol 537.43
    acetone 501.92
    n-butanol 372.99
    acetonitrile 653.86
    DMF 1233.78
    toluene 37.23
    isobutanol 321.11
    1,4-dioxane 328.82
    methyl acetate 354.06
    THF 451.49
    2-butanone 254.32
    n-pentanol 114.11
    sec-butanol 383.72
    n-hexane 8.43
    ethylene glycol 609.34
    NMP 597.69
    cyclohexane 26.67
    DMSO 934.3
    n-butyl acetate 57.81
    n-octanol 39.62
    chloroform 728.71
    n-propyl acetate 72.68
    acetic acid 3016.01
    dichloromethane 620.79
    cyclohexanone 205.34
    propylene glycol 449.67
    isopropyl acetate 93.6
    DMAc 659.65
    2-ethoxyethanol 348.27
    isopentanol 174.97
    n-heptane 14.38
    ethyl formate 279.96
    1,2-dichloroethane 281.31
    n-hexanol 78.94
    2-methoxyethanol 1137.34
    isobutyl acetate 29.38
    tetrachloromethane 148.47
    n-pentyl acetate 40.77
    transcutol 245.66
    n-heptanol 47.68
    ethylbenzene 12.2
    MIBK 52.33
    2-propoxyethanol 210.78
    tert-butanol 523.53
    MTBE 116.26
    2-butoxyethanol 128.07
    propionic acid 761.39
    o-xylene 31.41
    formic acid 2261.13
    diethyl ether 193.12
    m-xylene 23.25
    p-xylene 18.99
    chlorobenzene 71.86
    dimethyl carbonate 138.41
    n-octane 5.15
    formamide 2597.69
    cyclopentanone 326.03
    2-pentanone 170.08
    anisole 44.21
    cyclopentyl methyl ether 156.01
    gamma-butyrolactone 523.2
    1-methoxy-2-propanol 633.69
    pyridine 380.22
    3-pentanone 123.61
    furfural 460.67
    n-dodecane 3.43
    diethylene glycol 249.65
    diisopropyl ether 26.45
    tert-amyl alcohol 268.46
    acetylacetone 145.43
    n-hexadecane 3.65
    acetophenone 57.51
    methyl propionate 275.22
    isopentyl acetate 35.04
    trichloroethylene 577.81
    n-nonanol 32.99
    cyclohexanol 257.75
    benzyl alcohol 88.79
    2-ethylhexanol 35.04
    isooctanol 31.62
    dipropyl ether 60.86
    1,2-dichlorobenzene 61.6
    ethyl lactate 71.59
    propylene carbonate 198.05
    n-methylformamide 1122.11
    2-pentanol 218.0
    n-pentane 22.58
    1-propoxy-2-propanol 132.64
    1-methoxy-2-propyl acetate 66.66
    2-(2-methoxypropoxy) propanol 64.21
    mesitylene 14.87
    ε-caprolactone 197.28
    p-cymene 15.94
    epichlorohydrin 418.03
    1,1,1-trichloroethane 246.5
    2-aminoethanol 770.47
    morpholine-4-carbaldehyde 470.64
    sulfolane 406.47
    2,2,4-trimethylpentane 8.38
    2-methyltetrahydrofuran 259.89
    n-hexyl acetate 47.54
    isooctane 4.28
    2-(2-butoxyethoxy)ethanol 88.65
    sec-butyl acetate 37.08
    tert-butyl acetate 64.02
    decalin 5.48
    glycerin 690.92
    diglyme 209.15
    acrylic acid 892.94
    isopropyl myristate 14.95
    n-butyric acid 722.64
    acetyl acetate 147.81
    di(2-ethylhexyl) phthalate 20.1
    ethyl propionate 73.85
    nitromethane 1960.64
    1,2-diethoxyethane 59.26
    benzonitrile 99.84
    trioctyl phosphate 15.57
    1-bromopropane 138.37
    gamma-valerolactone 395.15
    n-decanol 21.66
    triethyl phosphate 32.38
    4-methyl-2-pentanol 54.45
    propionitrile 314.93
    vinylene carbonate 208.08
    1,1,2-trichlorotrifluoroethane 620.11
    DMS 50.55
    cumene 9.94
    2-octanol 27.7
    2-hexanone 46.58
    octyl acetate 24.4
    limonene 27.11
    1,2-dimethoxyethane 258.0
    ethyl orthosilicate 31.51
    tributyl phosphate 18.25
    diacetone alcohol 139.73
    N,N-dimethylaniline 41.51
    acrylonitrile 499.84
    aniline 184.02
    1,3-propanediol 841.92
    bromobenzene 50.64
    dibromomethane 365.15
    1,1,2,2-tetrachloroethane 428.28
    2-methyl-cyclohexyl acetate 30.19
    tetrabutyl urea 29.05
    diisobutyl methanol 23.42
    2-phenylethanol 55.45
    styrene 19.48
    dioctyl adipate 26.27
    dimethyl sulfate 220.95
    ethyl butyrate 56.12
    methyl lactate 206.82
    butyl lactate 48.3
    diethyl carbonate 38.74
    propanediol butyl ether 93.97
    triethyl orthoformate 43.22
    p-tert-butyltoluene 16.61
    methyl 4-tert-butylbenzoate 60.24
    morpholine 609.61
    tert-butylamine 248.19
    n-dodecanol 15.83
    dimethoxymethane 417.83
    ethylene carbonate 151.54
    cyrene 78.86
    2-ethoxyethyl acetate 60.02
    2-ethylhexyl acetate 25.83
    1,2,4-trichlorobenzene 88.87
    4-methylpyridine 218.62
    dibutyl ether 28.65
    2,6-dimethyl-4-heptanol 23.42
    DEF 321.49
    dimethyl isosorbide 77.79
    tetrachloroethylene 360.8
    eugenol 63.01
    triacetin 62.91
    span 80 62.18
    1,4-butanediol 187.53
    1,1-dichloroethane 340.36
    2-methyl-1-pentanol 55.6
    methyl formate 611.13
    2-methyl-1-butanol 194.12
    n-decane 5.96
    butyronitrile 252.98
    3,7-dimethyl-1-octanol 29.25
    1-chlorooctane 18.53
    1-chlorotetradecane 6.61
    n-nonane 5.99
    undecane 4.21
    tert-butylcyclohexane 4.85
    cyclooctane 7.82
    cyclopentanol 394.92
    tetrahydropyran 249.39
    tert-amyl methyl ether 86.13
    2,5,8-trioxanonane 116.14
    1-hexene 23.17
    2-isopropoxyethanol 154.32
    2,2,2-trifluoroethanol 1317.2
    methyl butyrate 102.38

    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