2,4,6-Triethyl-1,3,5-trioxane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2396-42-1

    Molecular formula
    C9H18O3

    SMILES
    CCC1OC(OC(O1)CC)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 62.87%
    Green 51.99%
    Ethereal 50.83%
    Sweet 47.73%
    Fresh 33.28%
    Fermented 29.33%
    Floral 27.96%
    Alcoholic 26.27%
    Herbal 25.72%
    Nutty 24.34%

     

    Flavor
    Sweet 55.51%
    Green 50.67%
    Vegetable 39.07%
    Earthy 34.89%
    Nutty 29.66%
    Caramel 29.07%
    Herbal 29.0%
    Musty 26.78%
    Fruit 24.85%
    Tropical 23.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.99 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Melting point expt.

    • -20 °C

    Flash point

    • 57.38 ˚C est.

  • Synonyms

    • 2,4,6-Triethyl-1,3,5-trioxane
    • 2396-42-1
    • Parapropionaldehyde
    • s-Trioxane, 2,4,6-triethyl-
    • A3GKX4F553
    • NSC-28702
    • DTXSID00178672
    • 5-19-09-00119 (Beilstein Handbook Reference)
    • RefChem:82113
    • DTXCID60101163
    • 821-076-9
    • GYBGKXFOKOSPLS-UHFFFAOYSA-N
    • PARA-PROPIONALDEHYDE
    • 1,3,5-Trioxane, 2,4,6-triethyl-
    • 2,4,6-Triethyl-s-trioxane
    • NSC 28702
    • BRN 0106855
    • Parapropanal
    • NSC28702
    • Propionaldehyde trimer
    • UNII-A3GKX4F553
    • SCHEMBL11264365
    • CHEBI:172105
    • CAA39642
    • AKOS006278183
    • 2,4,6-Triethyl-1,3,5-trioxane #
    • NS00095922
    • EN300-249823
    • G46987
    • 2396-42-1

  • Applications

    The compound 2,4,6-Triethyl-1,3,5-trioxane (CAS 2396-42-1) is a cyclic acetal that can serve as a stable formaldehyde donor for specialty chemical synthesis; practical applications include acting as a formaldehyde donor in the production of phenol-formaldehyde, melamine-formaldehyde, and related resins; functioning as a solvent or processing aid and diluent in coatings, paints, and inks; serving as a linking component or crosslinking additive in polymer systems; and it may be considered a precursor for specialized electronics or other niche applications, depending on regulatory guidelines and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 705.45
    methanol 884.91
    isopropanol 608.97
    water 3.73
    ethyl acetate 1330.25
    n-propanol 686.91
    acetone 1368.38
    n-butanol 596.18
    acetonitrile 1113.27
    DMF 1706.8
    toluene 931.01
    isobutanol 564.47
    1,4-dioxane 1463.23
    methyl acetate 1310.8
    THF 1970.92
    2-butanone 1278.66
    n-pentanol 540.03
    sec-butanol 696.15
    n-hexane 311.24
    ethylene glycol 167.2
    NMP 2064.02
    cyclohexane 555.97
    DMSO 1439.24
    n-butyl acetate 1227.08
    n-octanol 522.27
    chloroform 5976.3
    n-propyl acetate 1119.21
    acetic acid 1037.48
    dichloromethane 5652.7
    cyclohexanone 2163.91
    propylene glycol 225.36
    isopropyl acetate 846.12
    DMAc 1734.82
    2-ethoxyethanol 653.04
    isopentanol 495.18
    n-heptane 277.33
    ethyl formate 1059.37
    1,2-dichloroethane 2578.16
    n-hexanol 568.18
    2-methoxyethanol 854.99
    isobutyl acetate 677.39
    tetrachloromethane 1201.07
    n-pentyl acetate 995.06
    transcutol 965.64
    n-heptanol 405.64
    ethylbenzene 666.54
    MIBK 576.5
    2-propoxyethanol 711.8
    tert-butanol 629.45
    MTBE 769.17
    2-butoxyethanol 554.51
    propionic acid 932.71
    o-xylene 700.48
    formic acid 294.93
    diethyl ether 846.12
    m-xylene 579.02
    p-xylene 1046.98
    chlorobenzene 1683.29
    dimethyl carbonate 580.22
    n-octane 157.07
    formamide 423.07
    cyclopentanone 2191.54
    2-pentanone 984.09
    anisole 894.78
    cyclopentyl methyl ether 1034.25
    gamma-butyrolactone 2759.14
    1-methoxy-2-propanol 656.17
    pyridine 2035.23
    3-pentanone 987.17
    furfural 2331.68
    n-dodecane 129.58
    diethylene glycol 408.05
    diisopropyl ether 311.06
    tert-amyl alcohol 709.97
    acetylacetone 1229.31
    n-hexadecane 147.99
    acetophenone 1044.58
    methyl propionate 1096.05
    isopentyl acetate 907.21
    trichloroethylene 4968.11
    n-nonanol 447.27
    cyclohexanol 839.74
    benzyl alcohol 698.64
    2-ethylhexanol 493.26
    isooctanol 340.8
    dipropyl ether 674.63
    1,2-dichlorobenzene 1729.33
    ethyl lactate 470.2
    propylene carbonate 1814.84
    n-methylformamide 920.29
    2-pentanol 460.51
    n-pentane 237.24
    1-propoxy-2-propanol 589.27
    1-methoxy-2-propyl acetate 774.37
    2-(2-methoxypropoxy) propanol 485.44
    mesitylene 412.68
    ε-caprolactone 1979.77
    p-cymene 485.83
    epichlorohydrin 2405.31
    1,1,1-trichloroethane 2941.01
    2-aminoethanol 316.0
    morpholine-4-carbaldehyde 1613.38
    sulfolane 2712.07
    2,2,4-trimethylpentane 161.42
    2-methyltetrahydrofuran 1634.14
    n-hexyl acetate 1187.32
    isooctane 91.33
    2-(2-butoxyethoxy)ethanol 515.19
    sec-butyl acetate 681.55
    tert-butyl acetate 715.55
    decalin 265.31
    glycerin 281.13
    diglyme 1210.24
    acrylic acid 837.84
    isopropyl myristate 476.09
    n-butyric acid 1174.54
    acetyl acetate 1102.66
    di(2-ethylhexyl) phthalate 408.97
    ethyl propionate 1037.54
    nitromethane 1668.13
    1,2-diethoxyethane 765.59
    benzonitrile 1359.69
    trioctyl phosphate 337.86
    1-bromopropane 1565.0
    gamma-valerolactone 2269.44
    n-decanol 323.72
    triethyl phosphate 542.66
    4-methyl-2-pentanol 260.99
    propionitrile 1011.01
    vinylene carbonate 1919.16
    1,1,2-trichlorotrifluoroethane 1517.96
    DMS 935.27
    cumene 459.24
    2-octanol 399.85
    2-hexanone 917.97
    octyl acetate 606.77
    limonene 632.41
    1,2-dimethoxyethane 1363.99
    ethyl orthosilicate 454.33
    tributyl phosphate 432.8
    diacetone alcohol 546.07
    N,N-dimethylaniline 683.96
    acrylonitrile 1298.36
    aniline 782.26
    1,3-propanediol 433.79
    bromobenzene 2100.93
    dibromomethane 3692.71
    1,1,2,2-tetrachloroethane 4101.23
    2-methyl-cyclohexyl acetate 734.97
    tetrabutyl urea 529.93
    diisobutyl methanol 291.56
    2-phenylethanol 616.82
    styrene 836.73
    dioctyl adipate 700.06
    dimethyl sulfate 872.46
    ethyl butyrate 1055.43
    methyl lactate 504.21
    butyl lactate 586.2
    diethyl carbonate 839.57
    propanediol butyl ether 444.46
    triethyl orthoformate 667.2
    p-tert-butyltoluene 435.52
    methyl 4-tert-butylbenzoate 774.18
    morpholine 1403.27
    tert-butylamine 486.12
    n-dodecanol 263.23
    dimethoxymethane 988.76
    ethylene carbonate 1582.03
    cyrene 531.01
    2-ethoxyethyl acetate 919.12
    2-ethylhexyl acetate 843.35
    1,2,4-trichlorobenzene 1871.89
    4-methylpyridine 1982.21
    dibutyl ether 724.78
    2,6-dimethyl-4-heptanol 291.56
    DEF 1302.7
    dimethyl isosorbide 849.97
    tetrachloroethylene 2726.6
    eugenol 624.89
    triacetin 931.69
    span 80 536.38
    1,4-butanediol 267.05
    1,1-dichloroethane 2744.18
    2-methyl-1-pentanol 489.53
    methyl formate 858.5
    2-methyl-1-butanol 544.36
    n-decane 208.89
    butyronitrile 1032.6
    3,7-dimethyl-1-octanol 456.71
    1-chlorooctane 609.1
    1-chlorotetradecane 267.99
    n-nonane 221.21
    undecane 154.77
    tert-butylcyclohexane 224.9
    cyclooctane 216.64
    cyclopentanol 989.52
    tetrahydropyran 1481.78
    tert-amyl methyl ether 682.69
    2,5,8-trioxanonane 778.78
    1-hexene 681.84
    2-isopropoxyethanol 491.43
    2,2,2-trifluoroethanol 431.79
    methyl butyrate 1436.27

    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