1,3-Dioxane, 4-methyl-2-(2-methyl-1-propen-1-yl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    55546-11-7

    Molecular formula
    C9H16O2

    SMILES
    CC1CCOC(O1)C=C(C)C

  • Odor profile

    Fragrance
    Green 84.14%
    Fruity 70.35%
    Floral 66.57%
    Herbal 56.49%
    Woody 53.04%
    Spicy 41.21%
    Sweet 40.38%
    Fresh 39.38%
    Mint 31.65%
    Vegetable 29.35%

     

    Flavor
    Green 79.37%
    Herbal 42.64%
    Minty 35.34%
    Earthy 32.35%
    Spicy 30.18%
    Fresh 28.74%
    Nutty 27.62%
    Spice 26.71%
    Tropical 26.68%
    Vegetable 26.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.82 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 55.29 ˚C est.

  • Synonyms

    • 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-
    • 55546-11-7
    • EINECS 259-702-2
    • 4-Methyl-2-(2-methyl-1-propenyl)-1,3-dioxane
    • 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propen-1-yl)-
    • DTXSID00885753
    • SCHEMBL20782920
    • MIHZNPXEZUDVDZ-UHFFFAOYSA-N
    • DTXCID301025115
    • DB-325053
    • NS00055764

  • Applications

    Chemical name: 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propen-1-yl)-; CAS number: 55546-11-7. In practice, it is used as an intermediate in organic synthesis, particularly for fragrance- and cosmetic-related applications where it can serve as a precursor or intermediate for aroma compounds. It may also be employed as a solvent or co-solvent in industrial formulations, including coatings and inks. It can function as a building block for specialty polymers and plastics. Additionally, it may be considered as an odorant or fragrance-ingredient candidate for perfumery and cosmetic formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.55
    methanol 376.05
    isopropanol 386.68
    water 5.22
    ethyl acetate 174.25
    n-propanol 337.02
    acetone 252.46
    n-butanol 314.37
    acetonitrile 302.03
    DMF 280.2
    toluene 162.15
    isobutanol 269.79
    1,4-dioxane 464.49
    methyl acetate 185.77
    THF 554.05
    2-butanone 205.74
    n-pentanol 204.87
    sec-butanol 350.38
    n-hexane 95.62
    ethylene glycol 127.16
    NMP 304.59
    cyclohexane 202.56
    DMSO 302.41
    n-butyl acetate 167.24
    n-octanol 238.68
    chloroform 1392.45
    n-propyl acetate 114.33
    acetic acid 479.5
    dichloromethane 810.29
    cyclohexanone 352.73
    propylene glycol 248.77
    isopropyl acetate 109.57
    DMAc 278.5
    2-ethoxyethanol 207.61
    isopentanol 225.03
    n-heptane 95.4
    ethyl formate 150.59
    1,2-dichloroethane 301.81
    n-hexanol 329.5
    2-methoxyethanol 346.32
    isobutyl acetate 92.79
    tetrachloromethane 220.17
    n-pentyl acetate 136.79
    transcutol 590.07
    n-heptanol 168.25
    ethylbenzene 110.92
    MIBK 109.47
    2-propoxyethanol 326.52
    tert-butanol 425.92
    MTBE 190.19
    2-butoxyethanol 200.93
    propionic acid 310.27
    o-xylene 134.23
    formic acid 120.48
    diethyl ether 179.43
    m-xylene 119.77
    p-xylene 160.31
    chlorobenzene 236.65
    dimethyl carbonate 75.26
    n-octane 38.07
    formamide 122.2
    cyclopentanone 359.57
    2-pentanone 157.32
    anisole 170.95
    cyclopentyl methyl ether 243.61
    gamma-butyrolactone 364.63
    1-methoxy-2-propanol 302.41
    pyridine 374.69
    3-pentanone 132.61
    furfural 378.46
    n-dodecane 41.91
    diethylene glycol 259.01
    diisopropyl ether 71.86
    tert-amyl alcohol 326.95
    acetylacetone 160.16
    n-hexadecane 44.78
    acetophenone 162.65
    methyl propionate 150.16
    isopentyl acetate 155.25
    trichloroethylene 640.17
    n-nonanol 198.07
    cyclohexanol 377.45
    benzyl alcohol 180.21
    2-ethylhexanol 197.34
    isooctanol 130.05
    dipropyl ether 165.66
    1,2-dichlorobenzene 227.88
    ethyl lactate 117.55
    propylene carbonate 260.46
    n-methylformamide 162.61
    2-pentanol 220.93
    n-pentane 99.32
    1-propoxy-2-propanol 261.19
    1-methoxy-2-propyl acetate 162.59
    2-(2-methoxypropoxy) propanol 234.12
    mesitylene 84.9
    ε-caprolactone 301.58
    p-cymene 108.31
    epichlorohydrin 356.07
    1,1,1-trichloroethane 433.37
    2-aminoethanol 233.65
    morpholine-4-carbaldehyde 316.06
    sulfolane 419.42
    2,2,4-trimethylpentane 50.63
    2-methyltetrahydrofuran 394.79
    n-hexyl acetate 247.91
    isooctane 33.72
    2-(2-butoxyethoxy)ethanol 293.62
    sec-butyl acetate 89.36
    tert-butyl acetate 124.02
    decalin 69.13
    glycerin 262.42
    diglyme 393.61
    acrylic acid 267.56
    isopropyl myristate 125.48
    n-butyric acid 357.27
    acetyl acetate 149.02
    di(2-ethylhexyl) phthalate 133.84
    ethyl propionate 112.19
    nitromethane 357.01
    1,2-diethoxyethane 166.47
    benzonitrile 261.16
    trioctyl phosphate 104.79
    1-bromopropane 257.02
    gamma-valerolactone 369.89
    n-decanol 153.27
    triethyl phosphate 100.75
    4-methyl-2-pentanol 116.19
    propionitrile 244.2
    vinylene carbonate 258.63
    1,1,2-trichlorotrifluoroethane 406.16
    DMS 161.89
    cumene 93.89
    2-octanol 140.96
    2-hexanone 130.6
    octyl acetate 165.66
    limonene 151.49
    1,2-dimethoxyethane 285.17
    ethyl orthosilicate 97.04
    tributyl phosphate 115.04
    diacetone alcohol 176.23
    N,N-dimethylaniline 143.32
    acrylonitrile 254.6
    aniline 219.05
    1,3-propanediol 270.07
    bromobenzene 247.69
    dibromomethane 598.34
    1,1,2,2-tetrachloroethane 641.01
    2-methyl-cyclohexyl acetate 157.34
    tetrabutyl urea 138.37
    diisobutyl methanol 109.33
    2-phenylethanol 199.16
    styrene 134.6
    dioctyl adipate 182.31
    dimethyl sulfate 119.51
    ethyl butyrate 138.35
    methyl lactate 142.69
    butyl lactate 151.46
    diethyl carbonate 119.74
    propanediol butyl ether 269.9
    triethyl orthoformate 122.46
    p-tert-butyltoluene 107.1
    methyl 4-tert-butylbenzoate 194.46
    morpholine 489.35
    tert-butylamine 306.8
    n-dodecanol 128.11
    dimethoxymethane 169.82
    ethylene carbonate 205.52
    cyrene 200.3
    2-ethoxyethyl acetate 146.13
    2-ethylhexyl acetate 133.36
    1,2,4-trichlorobenzene 275.77
    4-methylpyridine 317.52
    dibutyl ether 169.13
    2,6-dimethyl-4-heptanol 109.33
    DEF 173.56
    dimethyl isosorbide 311.19
    tetrachloroethylene 379.88
    eugenol 187.88
    triacetin 251.65
    span 80 291.35
    1,4-butanediol 128.17
    1,1-dichloroethane 411.16
    2-methyl-1-pentanol 175.67
    methyl formate 126.26
    2-methyl-1-butanol 246.36
    n-decane 60.57
    butyronitrile 279.87
    3,7-dimethyl-1-octanol 189.56
    1-chlorooctane 143.47
    1-chlorotetradecane 76.36
    n-nonane 60.64
    undecane 48.6
    tert-butylcyclohexane 60.57
    cyclooctane 65.43
    cyclopentanol 393.35
    tetrahydropyran 465.77
    tert-amyl methyl ether 153.08
    2,5,8-trioxanonane 338.86
    1-hexene 171.93
    2-isopropoxyethanol 157.57
    2,2,2-trifluoroethanol 143.3
    methyl butyrate 140.8

    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