1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80480-24-6

    Molecular formula
    C13H26O2

    SMILES
    CCCC(C)C1OCC(CO1)(C)CCC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 80.76%
    Herbal 68.16%
    Spicy 51.96%
    Fresh 47.68%
    Woody 41.42%
    Oily 38.45%
    Floral 33.49%
    Mint 29.61%
    Earthy 27.79%
    Fruity 27.78%

     

    Flavor
    Green 63.16%
    Herbal 41.83%
    Earthy 36.74%
    Spicy 31.09%
    Tropical 26.92%
    Minty 26.45%
    Pepper 26.18%
    Spice 25.82%
    Fruity 25.06%
    Musty 24.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.61 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 95.85 ˚C est.

  • Synonyms

    • 80480-24-6
    • 5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane
    • EINECS 279-482-1
    • 1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-
    • DTXSID70868578
    • 5-Methyl-5-propyl-2-(1-methylbutyl)-1,3-dioxane
    • 1,3-Dioxane,5-methyl-2-(1-methylbutyl)-5-propyl-
    • 5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane
    • SCHEMBL226713
    • DTXCID30816671
    • LODLFUCEWWWXPR-UHFFFAOYSA-N
    • FM157415
    • NS00060806
    • 2-(1-methylbutyl)-5-methyl-5-propyl-1,3-dioxane
    • 279-482-1
    • Troenan

  • Applications

    1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl- is commonly used as an intermediate and aroma-related chemical in fragrance and flavor chemistry, serving as a building block for specialty fragrance ingredients and occasionally acting as a processing aid in industrial manufacturing; in cosmetics and personal care, it may be employed as a fragrance component, and in household products it can function as a fragrance additive for cleaners and air fresheners; it can also serve as an organic-synthesis intermediate in the production of polymers and plastics, or as a precursor for more complex specialty materials, all under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4086.5
    methanol 3700.84
    isopropanol 2835.37
    water 1.24
    ethyl acetate 3765.62
    n-propanol 2913.46
    acetone 2302.92
    n-butanol 3290.46
    acetonitrile 2187.57
    DMF 1485.65
    toluene 1659.78
    isobutanol 2402.71
    1,4-dioxane 4021.71
    methyl acetate 1973.52
    THF 4566.39
    2-butanone 2083.64
    n-pentanol 2241.01
    sec-butanol 2336.46
    n-hexane 1013.93
    ethylene glycol 221.11
    NMP 1093.34
    cyclohexane 1549.39
    DMSO 1170.31
    n-butyl acetate 6126.15
    n-octanol 1668.32
    chloroform 7601.21
    n-propyl acetate 2801.18
    acetic acid 2870.07
    dichloromethane 5869.85
    cyclohexanone 3500.04
    propylene glycol 384.43
    isopropyl acetate 3020.35
    DMAc 1238.93
    2-ethoxyethanol 2178.49
    isopentanol 3143.74
    n-heptane 1024.76
    ethyl formate 2466.3
    1,2-dichloroethane 3393.26
    n-hexanol 3951.8
    2-methoxyethanol 2846.67
    isobutyl acetate 2110.47
    tetrachloromethane 1670.95
    n-pentyl acetate 2766.47
    transcutol 5968.35
    n-heptanol 1780.54
    ethylbenzene 1112.37
    MIBK 1917.29
    2-propoxyethanol 3604.71
    tert-butanol 3141.5
    MTBE 3762.3
    2-butoxyethanol 2229.78
    propionic acid 1475.65
    o-xylene 1012.41
    formic acid 611.25
    diethyl ether 3719.06
    m-xylene 1171.66
    p-xylene 1573.87
    chlorobenzene 2160.39
    dimethyl carbonate 543.54
    n-octane 396.64
    formamide 668.56
    cyclopentanone 2349.1
    2-pentanone 2486.33
    anisole 1497.05
    cyclopentyl methyl ether 2440.8
    gamma-butyrolactone 2481.77
    1-methoxy-2-propanol 1995.09
    pyridine 2898.27
    3-pentanone 1483.19
    furfural 2397.13
    n-dodecane 225.89
    diethylene glycol 1318.97
    diisopropyl ether 1620.1
    tert-amyl alcohol 2561.24
    acetylacetone 2141.36
    n-hexadecane 262.8
    acetophenone 1362.67
    methyl propionate 1580.04
    isopentyl acetate 5157.09
    trichloroethylene 5838.39
    n-nonanol 1339.11
    cyclohexanol 2469.73
    benzyl alcohol 1229.2
    2-ethylhexanol 2761.01
    isooctanol 1543.79
    dipropyl ether 3083.3
    1,2-dichlorobenzene 1939.72
    ethyl lactate 731.02
    propylene carbonate 2179.35
    n-methylformamide 1023.85
    2-pentanol 2365.63
    n-pentane 856.68
    1-propoxy-2-propanol 2972.08
    1-methoxy-2-propyl acetate 2686.23
    2-(2-methoxypropoxy) propanol 1317.63
    mesitylene 887.18
    ε-caprolactone 3446.39
    p-cymene 1144.11
    epichlorohydrin 3567.5
    1,1,1-trichloroethane 3940.38
    2-aminoethanol 744.96
    morpholine-4-carbaldehyde 2028.59
    sulfolane 1717.66
    2,2,4-trimethylpentane 467.4
    2-methyltetrahydrofuran 3739.05
    n-hexyl acetate 3063.46
    isooctane 459.05
    2-(2-butoxyethoxy)ethanol 1939.69
    sec-butyl acetate 2240.57
    tert-butyl acetate 2712.12
    decalin 655.33
    glycerin 462.39
    diglyme 3771.17
    acrylic acid 904.87
    isopropyl myristate 1049.51
    n-butyric acid 4163.89
    acetyl acetate 2216.35
    di(2-ethylhexyl) phthalate 756.08
    ethyl propionate 1962.08
    nitromethane 2443.1
    1,2-diethoxyethane 3632.83
    benzonitrile 2200.43
    trioctyl phosphate 645.6
    1-bromopropane 3070.06
    gamma-valerolactone 3542.02
    n-decanol 894.35
    triethyl phosphate 853.7
    4-methyl-2-pentanol 1590.98
    propionitrile 2344.13
    vinylene carbonate 1987.7
    1,1,2-trichlorotrifluoroethane 2081.13
    DMS 1159.41
    cumene 867.47
    2-octanol 1350.3
    2-hexanone 2259.96
    octyl acetate 1240.01
    limonene 1682.31
    1,2-dimethoxyethane 4027.82
    ethyl orthosilicate 1027.41
    tributyl phosphate 861.05
    diacetone alcohol 1720.6
    N,N-dimethylaniline 948.6
    acrylonitrile 1773.38
    aniline 1391.91
    1,3-propanediol 1688.93
    bromobenzene 2552.51
    dibromomethane 4624.42
    1,1,2,2-tetrachloroethane 4699.81
    2-methyl-cyclohexyl acetate 1855.32
    tetrabutyl urea 886.76
    diisobutyl methanol 1460.98
    2-phenylethanol 1740.74
    styrene 1290.03
    dioctyl adipate 1212.5
    dimethyl sulfate 466.5
    ethyl butyrate 3073.1
    methyl lactate 557.71
    butyl lactate 1441.68
    diethyl carbonate 1785.58
    propanediol butyl ether 1369.31
    triethyl orthoformate 2029.06
    p-tert-butyltoluene 1105.36
    methyl 4-tert-butylbenzoate 1226.49
    morpholine 4327.76
    tert-butylamine 2436.4
    n-dodecanol 673.58
    dimethoxymethane 1818.35
    ethylene carbonate 1970.38
    cyrene 790.16
    2-ethoxyethyl acetate 2559.92
    2-ethylhexyl acetate 3842.71
    1,2,4-trichlorobenzene 1914.47
    4-methylpyridine 3060.52
    dibutyl ether 2507.58
    2,6-dimethyl-4-heptanol 1460.98
    DEF 2217.36
    dimethyl isosorbide 1897.92
    tetrachloroethylene 3451.52
    eugenol 1081.27
    triacetin 1579.61
    span 80 1319.24
    1,4-butanediol 674.8
    1,1-dichloroethane 3890.0
    2-methyl-1-pentanol 2214.2
    methyl formate 897.86
    2-methyl-1-butanol 2543.67
    n-decane 445.06
    butyronitrile 4006.46
    3,7-dimethyl-1-octanol 1722.22
    1-chlorooctane 1403.77
    1-chlorotetradecane 487.74
    n-nonane 488.16
    undecane 293.18
    tert-butylcyclohexane 629.36
    cyclooctane 600.88
    cyclopentanol 1683.6
    tetrahydropyran 5106.76
    tert-amyl methyl ether 2360.24
    2,5,8-trioxanonane 1829.11
    1-hexene 2280.62
    2-isopropoxyethanol 1680.33
    2,2,2-trifluoroethanol 630.48
    methyl butyrate 2918.03

    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