2-Ethyl-5,5-dimethyl-1,3-dioxane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    768-58-1

    Molecular formula
    C8H16O2

    SMILES
    CCC1OCC(CO1)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 61.19%
    Woody 53.92%
    Sweet 52.87%
    Fresh 51.42%
    Green 51.01%
    Fruity 46.26%
    Camphoreous 42.47%
    Mint 42.28%
    Ethereal 37.43%
    Spicy 37.3%

     

    Flavor
    Green 62.11%
    Earthy 46.57%
    Sweet 42.5%
    Herbal 37.55%
    Vegetable 32.32%
    Woody 31.87%
    Spicy 28.93%
    Musty 28.89%
    Nutty 27.38%
    Potato 23.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.46 (neutral)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 40.87 ˚C est.

  • Synonyms

    • 2-Ethyl-5,5-dimethyl-1,3-dioxane
    • 768-58-1
    • EINECS 212-197-2
    • 1,3-Dioxane, 2-ethyl-5,5-dimethyl-
    • 2-ethyl-5,5-dimethyl-m-dioxane
    • DTXSID40227613
    • MFCD16622268
    • 3UZX3RBK5N
    • SCHEMBL12132583
    • DTXCID90150104
    • QSHOOPIYPOINNH-UHFFFAOYSA-N
    • AAA76858
    • 2-5-5-EDD
    • 5,5-Dimethyl-2-ethyl-1,3-dioxane
    • AKOS005137991
    • AS-61182
    • DB-314016
    • NS00037852
    • 212-197-2

  • Applications

    2-Ethyl-5,5-dimethyl-1,3-dioxane (CAS 768-58-1) is used primarily as an organic solvent and synthesis intermediate in industrial manufacturing, and can serve as a processing aid in polymers and plastics formulations; it functions as a solvent component in coatings and inks; in perfumery and cosmetics, it may act as a fragrance solvent or carrier for active ingredients; it may also be used in cleaning formulations as a solvent; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.33
    methanol 381.36
    isopropanol 324.38
    water 2.73
    ethyl acetate 290.53
    n-propanol 330.51
    acetone 238.59
    n-butanol 358.97
    acetonitrile 283.21
    DMF 234.32
    toluene 253.28
    isobutanol 280.39
    1,4-dioxane 444.89
    methyl acetate 254.91
    THF 608.08
    2-butanone 302.77
    n-pentanol 301.29
    sec-butanol 346.99
    n-hexane 121.43
    ethylene glycol 81.94
    NMP 269.56
    cyclohexane 156.15
    DMSO 207.97
    n-butyl acetate 468.67
    n-octanol 291.91
    chloroform 1497.19
    n-propyl acetate 274.61
    acetic acid 397.58
    dichloromethane 1032.07
    cyclohexanone 411.66
    propylene glycol 126.72
    isopropyl acetate 216.8
    DMAc 266.19
    2-ethoxyethanol 315.97
    isopentanol 337.08
    n-heptane 172.21
    ethyl formate 262.39
    1,2-dichloroethane 400.79
    n-hexanol 470.79
    2-methoxyethanol 368.83
    isobutyl acetate 221.27
    tetrachloromethane 336.92
    n-pentyl acetate 275.31
    transcutol 724.16
    n-heptanol 295.76
    ethylbenzene 197.58
    MIBK 199.56
    2-propoxyethanol 449.02
    tert-butanol 391.26
    MTBE 333.7
    2-butoxyethanol 353.39
    propionic acid 264.81
    o-xylene 209.41
    formic acid 132.65
    diethyl ether 303.51
    m-xylene 211.03
    p-xylene 285.96
    chlorobenzene 298.26
    dimethyl carbonate 83.4
    n-octane 72.05
    formamide 137.1
    cyclopentanone 375.8
    2-pentanone 250.8
    anisole 272.35
    cyclopentyl methyl ether 334.65
    gamma-butyrolactone 403.78
    1-methoxy-2-propanol 297.19
    pyridine 396.29
    3-pentanone 198.49
    furfural 435.26
    n-dodecane 59.74
    diethylene glycol 263.72
    diisopropyl ether 145.3
    tert-amyl alcohol 395.72
    acetylacetone 218.34
    n-hexadecane 64.26
    acetophenone 260.39
    methyl propionate 192.04
    isopentyl acetate 436.68
    trichloroethylene 840.49
    n-nonanol 252.55
    cyclohexanol 319.57
    benzyl alcohol 242.53
    2-ethylhexanol 381.81
    isooctanol 241.3
    dipropyl ether 346.45
    1,2-dichlorobenzene 313.08
    ethyl lactate 151.86
    propylene carbonate 356.5
    n-methylformamide 163.96
    2-pentanol 284.49
    n-pentane 118.75
    1-propoxy-2-propanol 408.3
    1-methoxy-2-propyl acetate 307.01
    2-(2-methoxypropoxy) propanol 310.7
    mesitylene 161.66
    ε-caprolactone 416.21
    p-cymene 222.31
    epichlorohydrin 479.12
    1,1,1-trichloroethane 588.11
    2-aminoethanol 172.2
    morpholine-4-carbaldehyde 367.69
    sulfolane 363.24
    2,2,4-trimethylpentane 82.36
    2-methyltetrahydrofuran 507.61
    n-hexyl acetate 386.46
    isooctane 66.56
    2-(2-butoxyethoxy)ethanol 378.86
    sec-butyl acetate 215.23
    tert-butyl acetate 246.84
    decalin 103.72
    glycerin 155.78
    diglyme 575.43
    acrylic acid 227.65
    isopropyl myristate 195.94
    n-butyric acid 412.79
    acetyl acetate 202.89
    di(2-ethylhexyl) phthalate 183.53
    ethyl propionate 218.26
    nitromethane 337.27
    1,2-diethoxyethane 338.73
    benzonitrile 375.58
    trioctyl phosphate 155.97
    1-bromopropane 401.76
    gamma-valerolactone 445.24
    n-decanol 192.03
    triethyl phosphate 175.8
    4-methyl-2-pentanol 200.98
    propionitrile 308.29
    vinylene carbonate 356.74
    1,1,2-trichlorotrifluoroethane 425.42
    DMS 187.66
    cumene 165.66
    2-octanol 211.66
    2-hexanone 281.99
    octyl acetate 240.81
    limonene 285.52
    1,2-dimethoxyethane 477.85
    ethyl orthosilicate 185.56
    tributyl phosphate 175.86
    diacetone alcohol 243.54
    N,N-dimethylaniline 222.81
    acrylonitrile 304.34
    aniline 240.57
    1,3-propanediol 254.19
    bromobenzene 363.45
    dibromomethane 805.28
    1,1,2,2-tetrachloroethane 757.43
    2-methyl-cyclohexyl acetate 318.79
    tetrabutyl urea 186.89
    diisobutyl methanol 218.64
    2-phenylethanol 310.1
    styrene 219.22
    dioctyl adipate 264.38
    dimethyl sulfate 113.43
    ethyl butyrate 339.01
    methyl lactate 122.71
    butyl lactate 234.8
    diethyl carbonate 239.38
    propanediol butyl ether 292.38
    triethyl orthoformate 267.84
    p-tert-butyltoluene 222.67
    methyl 4-tert-butylbenzoate 290.66
    morpholine 483.09
    tert-butylamine 328.48
    n-dodecanol 156.02
    dimethoxymethane 197.59
    ethylene carbonate 280.1
    cyrene 237.13
    2-ethoxyethyl acetate 258.63
    2-ethylhexyl acetate 369.44
    1,2,4-trichlorobenzene 371.47
    4-methylpyridine 408.08
    dibutyl ether 292.24
    2,6-dimethyl-4-heptanol 218.64
    DEF 253.73
    dimethyl isosorbide 435.73
    tetrachloroethylene 512.31
    eugenol 259.06
    triacetin 307.42
    span 80 319.8
    1,4-butanediol 133.88
    1,1-dichloroethane 534.23
    2-methyl-1-pentanol 295.07
    methyl formate 134.79
    2-methyl-1-butanol 314.62
    n-decane 90.67
    butyronitrile 399.79
    3,7-dimethyl-1-octanol 291.26
    1-chlorooctane 219.19
    1-chlorotetradecane 108.71
    n-nonane 92.67
    undecane 69.58
    tert-butylcyclohexane 110.96
    cyclooctane 80.13
    cyclopentanol 304.71
    tetrahydropyran 495.11
    tert-amyl methyl ether 291.48
    2,5,8-trioxanonane 412.16
    1-hexene 270.55
    2-isopropoxyethanol 255.56
    2,2,2-trifluoroethanol 138.12
    methyl butyrate 303.42

    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