2,2,4-Trimethyl-1,3-dioxolane

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  • Identifiers

    CAS number
    1193-11-9

    Molecular formula
    C6H12O2

    SMILES
    CC1COC(O1)(C)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.83%
    Green 76.23%
    Ethereal 70.17%
    Musty 40.28%
    Earthy 39.95%
    Vegetable 39.5%
    Fresh 37.62%
    Fermented 36.33%
    Sweet 32.65%
    Woody 32.01%

     

    Flavor
    Green 83.37%
    Earthy 65.4%
    Vegetable 61.17%
    Potato 39.22%
    Raw 39.12%
    Nutty 31.61%
    Musty 27.96%
    Earth 25.34%
    Pepper 24.97%
    Burnt 24.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.42 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 98.00 to 99.00 °C. @ 760.00 mm Hg

    Flash point

    • 7.8 ˚C est.

    Solubility expt.

    • 111000 mg/L @ 18C (exp)
    • soluble in water; organic solvents, oils
    • miscible (in ethanol)

  • Synonyms

    • 2,2,4-Trimethyl-1,3-dioxolane
    • 1193-11-9
    • 1,3-DIOXOLANE, 2,2,4-TRIMETHYL-
    • Propylene glycol acetone ketal
    • Acetone propylene glycol acetal
    • FEMA No. 3441
    • 2,2,4-Trimethyl-1,3-dioxacyclopentane
    • UNII-Z0H09N14AR
    • 2,2,4-Trimethyl-1,3-oxacyclopentane
    • Z0H09N14AR
    • EINECS 214-766-0
    • NSC 87545
    • NSC-87545
    • 2,2,4-Trimethyldioxolane
    • DTXSID10862590
    • (+/-)-2,2,4-TRIMETHYL-1,3-DIOXOLANE
    • 2,2,4-TRIMETHYL-1,3-DIOXOLANE, (+/-)-
    • 2,2,4-TRIMETHYL-1,3-OXACYCLOPENTANE [FHFI]
    • 1,3-Dioxolane,2,2,4-trimethyl-
    • MFCD00090841
    • Propylene glycol acetonide
    • 1,2-Propanediol acetonide
    • 1,2-Isopropylidenepropanediol
    • SCHEMBL243965
    • 2,4-Trimethyl-1,3-dioxolane
    • FEMA 3441
    • DTXCID60811331
    • CHEBI:173426
    • NSC87545
    • AKOS015842198
    • CS-0442298
    • NS00041899
    • T2575
    • D92616
    • Q27294837
    • 214-766-0

  • Applications

    2,2,4-Trimethyl-1,3-dioxolane (CAS 1193-11-9) is primarily used as a carbonyl-protecting acetal in organic synthesis, protecting aldehydes and ketones in multi-step sequences. It is also used as a specialty solvent or co-solvent in chemical manufacturing and in formulations for coatings, inks, and adhesives. As a cyclic acetal, it is often used as an intermediate in the synthesis of fine chemicals, including fragrance-related compounds. Additionally, it can function as a processing aid or additive in polymer and plastics formulations to improve solubility and blending, and may appear in cleaning formulations under local regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1227.59
    methanol 1659.13
    isopropanol 996.48
    water 178.75
    ethyl acetate 787.92
    n-propanol 923.45
    acetone 763.74
    n-butanol 811.96
    acetonitrile 795.34
    DMF 860.29
    toluene 419.99
    isobutanol 718.16
    1,4-dioxane 1095.86
    methyl acetate 716.77
    THF 1149.81
    2-butanone 659.4
    n-pentanol 454.31
    sec-butanol 907.09
    n-hexane 187.38
    ethylene glycol 513.12
    NMP 951.27
    cyclohexane 215.38
    DMSO 668.59
    n-butyl acetate 289.16
    n-octanol 317.11
    chloroform 2022.41
    n-propyl acetate 278.21
    acetic acid 1196.11
    dichloromethane 1722.55
    cyclohexanone 744.51
    propylene glycol 587.68
    isopropyl acetate 432.96
    DMAc 990.55
    2-ethoxyethanol 721.34
    isopentanol 576.58
    n-heptane 104.86
    ethyl formate 466.26
    1,2-dichloroethane 721.86
    n-hexanol 496.22
    2-methoxyethanol 1280.55
    isobutyl acetate 202.66
    tetrachloromethane 556.39
    n-pentyl acetate 252.03
    transcutol 1281.19
    n-heptanol 243.73
    ethylbenzene 180.22
    MIBK 286.76
    2-propoxyethanol 821.96
    tert-butanol 966.09
    MTBE 712.25
    2-butoxyethanol 384.7
    propionic acid 797.25
    o-xylene 278.88
    formic acid 813.62
    diethyl ether 858.65
    m-xylene 266.08
    p-xylene 245.93
    chlorobenzene 450.55
    dimethyl carbonate 282.59
    n-octane 48.72
    formamide 718.81
    cyclopentanone 731.38
    2-pentanone 503.94
    anisole 381.63
    cyclopentyl methyl ether 620.29
    gamma-butyrolactone 935.34
    1-methoxy-2-propanol 932.16
    pyridine 658.75
    3-pentanone 473.75
    furfural 822.96
    n-dodecane 44.52
    diethylene glycol 687.29
    diisopropyl ether 260.5
    tert-amyl alcohol 892.77
    acetylacetone 523.97
    n-hexadecane 47.91
    acetophenone 294.84
    methyl propionate 610.49
    isopentyl acetate 245.18
    trichloroethylene 1219.24
    n-nonanol 277.24
    cyclohexanol 679.06
    benzyl alcohol 322.36
    2-ethylhexanol 252.97
    isooctanol 189.49
    dipropyl ether 296.51
    1,2-dichlorobenzene 405.6
    ethyl lactate 207.79
    propylene carbonate 528.26
    n-methylformamide 658.74
    2-pentanol 562.05
    n-pentane 211.2
    1-propoxy-2-propanol 490.94
    1-methoxy-2-propyl acetate 387.72
    2-(2-methoxypropoxy) propanol 363.04
    mesitylene 165.24
    ε-caprolactone 728.3
    p-cymene 130.05
    epichlorohydrin 926.54
    1,1,1-trichloroethane 926.07
    2-aminoethanol 769.58
    morpholine-4-carbaldehyde 964.25
    sulfolane 755.28
    2,2,4-trimethylpentane 108.59
    2-methyltetrahydrofuran 1015.13
    n-hexyl acetate 431.08
    isooctane 62.37
    2-(2-butoxyethoxy)ethanol 461.77
    sec-butyl acetate 244.11
    tert-butyl acetate 373.01
    decalin 100.44
    glycerin 743.28
    diglyme 766.57
    acrylic acid 702.01
    isopropyl myristate 177.67
    n-butyric acid 744.04
    acetyl acetate 541.22
    di(2-ethylhexyl) phthalate 152.54
    ethyl propionate 322.08
    nitromethane 1095.38
    1,2-diethoxyethane 409.98
    benzonitrile 329.45
    trioctyl phosphate 111.69
    1-bromopropane 625.5
    gamma-valerolactone 997.64
    n-decanol 196.36
    triethyl phosphate 143.8
    4-methyl-2-pentanol 280.89
    propionitrile 563.71
    vinylene carbonate 513.76
    1,1,2-trichlorotrifluoroethane 821.64
    DMS 314.73
    cumene 144.17
    2-octanol 199.04
    2-hexanone 272.98
    octyl acetate 230.55
    limonene 195.65
    1,2-dimethoxyethane 772.47
    ethyl orthosilicate 146.86
    tributyl phosphate 140.91
    diacetone alcohol 407.12
    N,N-dimethylaniline 267.61
    acrylonitrile 578.5
    aniline 518.17
    1,3-propanediol 785.64
    bromobenzene 442.58
    dibromomethane 1154.62
    1,1,2,2-tetrachloroethane 1024.39
    2-methyl-cyclohexyl acetate 204.12
    tetrabutyl urea 174.36
    diisobutyl methanol 142.03
    2-phenylethanol 295.28
    styrene 220.22
    dioctyl adipate 221.31
    dimethyl sulfate 391.77
    ethyl butyrate 237.86
    methyl lactate 368.71
    butyl lactate 201.66
    diethyl carbonate 181.77
    propanediol butyl ether 364.21
    triethyl orthoformate 192.64
    p-tert-butyltoluene 135.65
    methyl 4-tert-butylbenzoate 303.11
    morpholine 1141.72
    tert-butylamine 694.91
    n-dodecanol 146.2
    dimethoxymethane 679.26
    ethylene carbonate 447.52
    cyrene 281.92
    2-ethoxyethyl acetate 350.29
    2-ethylhexyl acetate 211.57
    1,2,4-trichlorobenzene 500.38
    4-methylpyridine 679.71
    dibutyl ether 281.16
    2,6-dimethyl-4-heptanol 142.03
    DEF 610.79
    dimethyl isosorbide 468.15
    tetrachloroethylene 746.46
    eugenol 274.47
    triacetin 387.46
    span 80 318.82
    1,4-butanediol 348.39
    1,1-dichloroethane 963.04
    2-methyl-1-pentanol 389.57
    methyl formate 505.65
    2-methyl-1-butanol 646.72
    n-decane 71.61
    butyronitrile 543.04
    3,7-dimethyl-1-octanol 269.61
    1-chlorooctane 207.0
    1-chlorotetradecane 90.7
    n-nonane 73.51
    undecane 53.81
    tert-butylcyclohexane 104.75
    cyclooctane 89.5
    cyclopentanol 707.89
    tetrahydropyran 881.5
    tert-amyl methyl ether 581.95
    2,5,8-trioxanonane 515.18
    1-hexene 335.17
    2-isopropoxyethanol 492.5
    2,2,2-trifluoroethanol 552.32
    methyl butyrate 347.33

    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