5,5-Dimethyl-2-pentyl-1,3-dioxane

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  • Identifiers

    CAS number
    13273-89-7

    Molecular formula
    C11H22O2

    SMILES
    CCCCCC1OCC(CO1)(C)C

  • Odor profile

    Fragrance
    Green 79.9%
    Herbal 63.38%
    Fresh 50.91%
    Sweet 50.17%
    Fatty 43.35%
    Spicy 39.66%
    Woody 38.72%
    Oily 38.57%
    Fruity 36.59%
    Floral 35.91%

     

    Flavor
    Green 66.53%
    Herbal 43.71%
    Earthy 43.02%
    Fruity 40.81%
    Sweet 36.22%
    Spicy 34.15%
    Vegetable 28.04%
    Tropical 27.94%
    Metallic 27.31%
    Musty 26.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.86 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 77.83 ˚C est.

  • Synonyms

    • 5,5-dimethyl-2-pentyl-1,3-dioxane
    • 13273-89-7
    • DTXSID60281919
    • NSC23489
    • SCHEMBL256016
    • DTXCID00233073
    • NSC-23489
    • AKOS006271423

  • Applications

    5,5-Dimethyl-2-pentyl-1,3-dioxane (CAS 13273-89-7) is typically used as a fragrance ingredient and odor fixative in perfumery, cosmetics, and personal care products to extend and stabilize aromas. It may also serve as an aroma-related component in household products such as cleaners and air fresheners, contributing scent profiles. In industrial manufacturing, it can function as a solvent or processing aid and may act as an intermediate in organic synthesis. In coatings, inks, and related formulations, it can be employed as a fragrance carrier or odorant adjunct. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1815.65
    methanol 1258.98
    isopropanol 1613.33
    water 1.02
    ethyl acetate 2604.37
    n-propanol 1437.95
    acetone 1415.09
    n-butanol 1857.1
    acetonitrile 1252.22
    DMF 940.07
    toluene 1026.09
    isobutanol 1349.5
    1,4-dioxane 2406.38
    methyl acetate 1497.55
    THF 2681.41
    2-butanone 1431.71
    n-pentanol 1297.29
    sec-butanol 1568.79
    n-hexane 761.82
    ethylene glycol 192.14
    NMP 771.53
    cyclohexane 1044.1
    DMSO 840.67
    n-butyl acetate 3363.55
    n-octanol 1138.55
    chloroform 5290.71
    n-propyl acetate 1829.04
    acetic acid 1869.02
    dichloromethane 3747.88
    cyclohexanone 2177.68
    propylene glycol 362.75
    isopropyl acetate 2071.46
    DMAc 966.26
    2-ethoxyethanol 1403.84
    isopentanol 2003.74
    n-heptane 747.18
    ethyl formate 1365.23
    1,2-dichloroethane 2073.84
    n-hexanol 2290.46
    2-methoxyethanol 1688.01
    isobutyl acetate 1498.74
    tetrachloromethane 1092.82
    n-pentyl acetate 1621.02
    transcutol 4649.71
    n-heptanol 1171.62
    ethylbenzene 747.13
    MIBK 1285.15
    2-propoxyethanol 2169.85
    tert-butanol 2311.25
    MTBE 2467.27
    2-butoxyethanol 1547.25
    propionic acid 1168.76
    o-xylene 753.11
    formic acid 339.73
    diethyl ether 2147.42
    m-xylene 834.49
    p-xylene 1093.98
    chlorobenzene 1281.04
    dimethyl carbonate 439.86
    n-octane 289.61
    formamide 359.13
    cyclopentanone 1560.69
    2-pentanone 1586.27
    anisole 1039.78
    cyclopentyl methyl ether 1640.58
    gamma-butyrolactone 1664.59
    1-methoxy-2-propanol 1498.03
    pyridine 1630.5
    3-pentanone 1008.34
    furfural 1617.39
    n-dodecane 196.12
    diethylene glycol 1012.84
    diisopropyl ether 1102.52
    tert-amyl alcohol 1983.46
    acetylacetone 1571.64
    n-hexadecane 222.05
    acetophenone 978.33
    methyl propionate 1174.37
    isopentyl acetate 3002.94
    trichloroethylene 3909.53
    n-nonanol 994.18
    cyclohexanol 1683.73
    benzyl alcohol 831.07
    2-ethylhexanol 1832.38
    isooctanol 1027.18
    dipropyl ether 1931.68
    1,2-dichlorobenzene 1301.62
    ethyl lactate 648.41
    propylene carbonate 1587.46
    n-methylformamide 556.37
    2-pentanol 1597.6
    n-pentane 654.33
    1-propoxy-2-propanol 2055.38
    1-methoxy-2-propyl acetate 1963.31
    2-(2-methoxypropoxy) propanol 1186.79
    mesitylene 656.59
    ε-caprolactone 2255.43
    p-cymene 765.48
    epichlorohydrin 2252.9
    1,1,1-trichloroethane 3094.29
    2-aminoethanol 489.81
    morpholine-4-carbaldehyde 1424.43
    sulfolane 1338.1
    2,2,4-trimethylpentane 352.12
    2-methyltetrahydrofuran 2345.74
    n-hexyl acetate 2077.33
    isooctane 344.73
    2-(2-butoxyethoxy)ethanol 1695.48
    sec-butyl acetate 1583.15
    tert-butyl acetate 1909.95
    decalin 475.77
    glycerin 431.01
    diglyme 2818.64
    acrylic acid 807.07
    isopropyl myristate 872.47
    n-butyric acid 2811.11
    acetyl acetate 1682.35
    di(2-ethylhexyl) phthalate 609.25
    ethyl propionate 1410.3
    nitromethane 1717.59
    1,2-diethoxyethane 2324.02
    benzonitrile 1325.23
    trioctyl phosphate 521.84
    1-bromopropane 1912.93
    gamma-valerolactone 2093.37
    n-decanol 719.33
    triethyl phosphate 668.31
    4-methyl-2-pentanol 1145.39
    propionitrile 1321.09
    vinylene carbonate 1376.32
    1,1,2-trichlorotrifluoroethane 1757.75
    DMS 966.65
    cumene 630.72
    2-octanol 880.06
    2-hexanone 1496.68
    octyl acetate 994.3
    limonene 1130.42
    1,2-dimethoxyethane 2275.58
    ethyl orthosilicate 775.12
    tributyl phosphate 716.74
    diacetone alcohol 1397.88
    N,N-dimethylaniline 734.72
    acrylonitrile 1091.84
    aniline 915.2
    1,3-propanediol 1051.13
    bromobenzene 1522.6
    dibromomethane 2822.05
    1,1,2,2-tetrachloroethane 3439.24
    2-methyl-cyclohexyl acetate 1413.33
    tetrabutyl urea 709.71
    diisobutyl methanol 1013.95
    2-phenylethanol 1088.6
    styrene 837.51
    dioctyl adipate 1000.49
    dimethyl sulfate 463.12
    ethyl butyrate 2026.89
    methyl lactate 513.58
    butyl lactate 1099.21
    diethyl carbonate 1260.21
    propanediol butyl ether 1153.11
    triethyl orthoformate 1411.36
    p-tert-butyltoluene 767.26
    methyl 4-tert-butylbenzoate 1032.37
    morpholine 2458.98
    tert-butylamine 1806.26
    n-dodecanol 570.82
    dimethoxymethane 1001.35
    ethylene carbonate 1348.67
    cyrene 669.24
    2-ethoxyethyl acetate 1577.95
    2-ethylhexyl acetate 2384.13
    1,2,4-trichlorobenzene 1364.97
    4-methylpyridine 1793.73
    dibutyl ether 1685.84
    2,6-dimethyl-4-heptanol 1013.95
    DEF 1459.1
    dimethyl isosorbide 1557.8
    tetrachloroethylene 2334.62
    eugenol 836.15
    triacetin 1394.81
    span 80 1137.24
    1,4-butanediol 455.95
    1,1-dichloroethane 2729.23
    2-methyl-1-pentanol 1306.03
    methyl formate 505.37
    2-methyl-1-butanol 1585.78
    n-decane 354.65
    butyronitrile 2011.19
    3,7-dimethyl-1-octanol 1277.66
    1-chlorooctane 974.13
    1-chlorotetradecane 407.69
    n-nonane 373.32
    undecane 248.69
    tert-butylcyclohexane 488.23
    cyclooctane 430.81
    cyclopentanol 1165.02
    tetrahydropyran 2759.02
    tert-amyl methyl ether 1658.23
    2,5,8-trioxanonane 1570.48
    1-hexene 1581.58
    2-isopropoxyethanol 1273.47
    2,2,2-trifluoroethanol 479.38
    methyl butyrate 1938.69

    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