1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    63449-89-8

    Molecular formula
    C12H24O2

    SMILES
    CCCCCC1OC(CC(O1)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.74%
    Herbal 70.38%
    Floral 54.85%
    Spicy 47.62%
    Fresh 40.8%
    Citrus 40.41%
    Vegetable 35.2%
    Fatty 34.08%
    Earthy 31.75%
    Natural 31.11%

     

    Flavor
    Green 81.29%
    Earthy 46.34%
    Herbal 41.07%
    Vegetable 37.92%
    Tropical 34.79%
    Minty 34.02%
    Pepper 30.36%
    Metallic 28.12%
    Raw 27.26%
    Burnt 27.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.48 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    230°C

    Flash point

    • 76.29 ˚C est.

  • Synonyms

    • 4,4,6-Trimethyl-2-pentyl-1,3-dioxane
    • 63449-89-8
    • 1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-
    • 2-Pentyl-4,4,6-trimethyl-1,3-dioxane
    • EINECS 264-160-5
    • DTXSID40886587
    • NSC 23495
    • RefChem:72775
    • DTXCID501025911
    • 264-160-5
    • turboxan
    • NSC23495
    • SCHEMBL28846582
    • PDQBOBGVXLUMTJ-UHFFFAOYSA-N
    • 1, 4,4,6-trimethyl-2-pentyl-
    • NSC-23495
    • DB-305177
    • NS00013301
    • 63449-89-8

  • Applications

    1,3-Dioxane, 4,4,6-trimethyl-2-pentyl- is commonly used as an odorant and fragrance ingredient and as a fixative to extend fragrance duration in perfumery and cosmetic formulations. It also serves as an intermediate in the synthesis of fragrance compounds and related molecules. In household products, it may be employed as a scent additive in cleaners and air fresheners. In coatings, inks, and related industrial applications, it can be used as a fragrance or odorant additive to improve product scent. In industrial manufacturing, it may function as an intermediate or precursor for fragrance systems and related formulation additives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3258.09
    methanol 3023.57
    isopropanol 2994.77
    water 2.29
    ethyl acetate 3394.71
    n-propanol 3037.78
    acetone 2669.5
    n-butanol 3162.87
    acetonitrile 1868.85
    DMF 1877.71
    toluene 2088.43
    isobutanol 2803.48
    1,4-dioxane 4487.06
    methyl acetate 2321.94
    THF 5527.63
    2-butanone 2441.63
    n-pentanol 2058.48
    sec-butanol 3032.19
    n-hexane 2222.9
    ethylene glycol 385.19
    NMP 2505.32
    cyclohexane 3265.82
    DMSO 1774.11
    n-butyl acetate 3981.3
    n-octanol 2017.4
    chloroform 7122.57
    n-propyl acetate 1900.08
    acetic acid 2700.91
    dichloromethane 5138.43
    cyclohexanone 4818.93
    propylene glycol 701.78
    isopropyl acetate 2830.6
    DMAc 2120.84
    2-ethoxyethanol 1387.09
    isopentanol 3134.09
    n-heptane 1522.73
    ethyl formate 1549.39
    1,2-dichloroethane 3115.31
    n-hexanol 4868.6
    2-methoxyethanol 2175.37
    isobutyl acetate 1592.97
    tetrachloromethane 1635.56
    n-pentyl acetate 2218.64
    transcutol 5030.81
    n-heptanol 1610.09
    ethylbenzene 983.9
    MIBK 1840.64
    2-propoxyethanol 3294.68
    tert-butanol 3781.17
    MTBE 4609.08
    2-butoxyethanol 1477.65
    propionic acid 2143.53
    o-xylene 1255.59
    formic acid 579.63
    diethyl ether 4142.76
    m-xylene 1418.87
    p-xylene 1377.05
    chlorobenzene 2236.19
    dimethyl carbonate 655.12
    n-octane 494.74
    formamide 476.72
    cyclopentanone 3282.84
    2-pentanone 2533.08
    anisole 1087.6
    cyclopentyl methyl ether 4256.1
    gamma-butyrolactone 3415.28
    1-methoxy-2-propanol 2003.88
    pyridine 2752.8
    3-pentanone 2135.35
    furfural 2141.72
    n-dodecane 325.98
    diethylene glycol 1356.22
    diisopropyl ether 1951.89
    tert-amyl alcohol 3481.6
    acetylacetone 2137.23
    n-hexadecane 372.7
    acetophenone 1042.06
    methyl propionate 2085.55
    isopentyl acetate 3349.73
    trichloroethylene 4791.05
    n-nonanol 1611.01
    cyclohexanol 4365.43
    benzyl alcohol 955.11
    2-ethylhexanol 2928.06
    isooctanol 1258.06
    dipropyl ether 2818.86
    1,2-dichlorobenzene 1595.85
    ethyl lactate 591.86
    propylene carbonate 2221.94
    n-methylformamide 1050.93
    2-pentanol 2714.85
    n-pentane 1620.76
    1-propoxy-2-propanol 2651.09
    1-methoxy-2-propyl acetate 2352.61
    2-(2-methoxypropoxy) propanol 1230.02
    mesitylene 1044.71
    ε-caprolactone 4387.11
    p-cymene 877.05
    epichlorohydrin 3316.58
    1,1,1-trichloroethane 3988.36
    2-aminoethanol 895.26
    morpholine-4-carbaldehyde 2496.94
    sulfolane 2871.64
    2,2,4-trimethylpentane 739.64
    2-methyltetrahydrofuran 5730.02
    n-hexyl acetate 3665.22
    isooctane 569.11
    2-(2-butoxyethoxy)ethanol 1753.55
    sec-butyl acetate 1613.24
    tert-butyl acetate 2523.76
    decalin 1007.84
    glycerin 736.17
    diglyme 2690.19
    acrylic acid 1274.71
    isopropyl myristate 1109.46
    n-butyric acid 3850.23
    acetyl acetate 1969.48
    di(2-ethylhexyl) phthalate 727.85
    ethyl propionate 1640.07
    nitromethane 2313.15
    1,2-diethoxyethane 2660.13
    benzonitrile 1438.87
    trioctyl phosphate 632.59
    1-bromopropane 3169.18
    gamma-valerolactone 3760.52
    n-decanol 1076.07
    triethyl phosphate 627.65
    4-methyl-2-pentanol 1733.97
    propionitrile 1983.12
    vinylene carbonate 1807.11
    1,1,2-trichlorotrifluoroethane 2219.67
    DMS 1485.78
    cumene 758.29
    2-octanol 1346.0
    2-hexanone 1886.42
    octyl acetate 1346.81
    limonene 1777.63
    1,2-dimethoxyethane 2620.44
    ethyl orthosilicate 727.81
    tributyl phosphate 826.12
    diacetone alcohol 1736.02
    N,N-dimethylaniline 834.28
    acrylonitrile 1455.35
    aniline 1642.36
    1,3-propanediol 1544.61
    bromobenzene 2474.25
    dibromomethane 4434.02
    1,1,2,2-tetrachloroethane 4419.73
    2-methyl-cyclohexyl acetate 1494.31
    tetrabutyl urea 942.26
    diisobutyl methanol 1189.61
    2-phenylethanol 1360.72
    styrene 1118.83
    dioctyl adipate 1150.73
    dimethyl sulfate 822.28
    ethyl butyrate 1924.49
    methyl lactate 715.16
    butyl lactate 1192.99
    diethyl carbonate 966.66
    propanediol butyl ether 1345.58
    triethyl orthoformate 1344.6
    p-tert-butyltoluene 838.07
    methyl 4-tert-butylbenzoate 1067.3
    morpholine 4691.17
    tert-butylamine 3075.59
    n-dodecanol 781.78
    dimethoxymethane 1737.79
    ethylene carbonate 1954.28
    cyrene 783.69
    2-ethoxyethyl acetate 2017.75
    2-ethylhexyl acetate 2891.4
    1,2,4-trichlorobenzene 1776.4
    4-methylpyridine 2983.66
    dibutyl ether 2864.41
    2,6-dimethyl-4-heptanol 1189.61
    DEF 2597.61
    dimethyl isosorbide 1773.09
    tetrachloroethylene 2998.18
    eugenol 786.68
    triacetin 1772.47
    span 80 1334.65
    1,4-butanediol 604.87
    1,1-dichloroethane 3764.42
    2-methyl-1-pentanol 2008.48
    methyl formate 872.54
    2-methyl-1-butanol 2885.03
    n-decane 659.47
    butyronitrile 2576.75
    3,7-dimethyl-1-octanol 1766.62
    1-chlorooctane 1783.95
    1-chlorotetradecane 612.6
    n-nonane 744.53
    undecane 432.71
    tert-butylcyclohexane 937.16
    cyclooctane 1139.47
    cyclopentanol 3252.83
    tetrahydropyran 6589.45
    tert-amyl methyl ether 3276.57
    2,5,8-trioxanonane 1607.58
    1-hexene 3143.03
    2-isopropoxyethanol 1252.31
    2,2,2-trifluoroethanol 686.33
    methyl butyrate 2056.31

    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