6-Hexyl-1,4-dioxan-2-one

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  • Identifiers

    CAS number
    59646-18-3

    Molecular formula
    C10H18O3

    SMILES
    CCCCCCC1COCC(=O)O1

  • Odor profile

    Fragrance
    Fatty 72.91%
    Sweet 68.56%
    Buttery 60.54%
    Creamy 60.19%
    Peach 56.95%
    Fruity 53.87%
    Lactonic 53.4%
    Coconut 51.44%
    Milky 49.64%
    Waxy 48.97%

     

    Flavor
    Coconut 72.56%
    Creamy 69.75%
    Sweet 68.63%
    Fatty 66.45%
    Peach 63.46%
    Waxy 59.9%
    Oily 55.96%
    Fruity 51.61%
    Dairy 47.12%
    Buttery 46.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.54 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 109.93 ˚C est.

  • Synonyms

    • 6-Hexyl-1,4-dioxan-2-one
    • 2-Hexyl-6-keto-1,4-dioxane
    • 1,4-Dioxan-2-one, 6-hexyl-
    • FEMA no. 2574, 6-keto-
    • UNII-253TJ775PU
    • (+/-)-2-Hexyl 6-keto-1,4-dioxane
    • 253TJ775PU
    • 2-Hexyl 6-keto-1,4-dioxane, (+/-)-
    • 59646-18-3
    • Acetic acid, ((2-hydroxyoctyl)oxy)-, delta-lactone
    • 6-HEXYL-P-DIOXAN-2-ONE
    • ACETIC ACID, ((2-HYDROXYOCTYL)OXY)-, .DELTA.-LACTONE
    • SCHEMBL9628903
    • CHEBI:171979
    • DTXSID801312743
    • Q27253909

  • Applications

    6-Hexyl-1,4-dioxan-2-one (CAS 59646-18-3) is primarily considered as a polymerization monomer for ring-opening polymerization to produce biodegradable polycarbonates and related polymers, with the hexyl substituent enabling hydrophobic side chains. It also serves as a building block for specialty polymers bearing hexyl side chains, enabling tailored properties for advanced applications. Additionally, the compound can function as a processing aid or plasticizer in polymer formulations to adjust flexibility and processability. It may be used as a solvent or co-solvent in chemical manufacturing or as a precursor to other functional materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1789.99
    methanol 2813.7
    isopropanol 1067.37
    water 0.34
    ethyl acetate 1553.18
    n-propanol 1033.67
    acetone 2792.36
    n-butanol 940.8
    acetonitrile 1414.71
    DMF 1745.4
    toluene 343.55
    isobutanol 714.45
    1,4-dioxane 1209.13
    methyl acetate 991.18
    THF 1694.46
    2-butanone 1237.16
    n-pentanol 543.47
    sec-butanol 689.07
    n-hexane 37.79
    ethylene glycol 302.81
    NMP 1160.78
    cyclohexane 89.72
    DMSO 4178.83
    n-butyl acetate 867.35
    n-octanol 159.41
    chloroform 2699.7
    n-propyl acetate 722.01
    acetic acid 2067.27
    dichloromethane 2871.0
    cyclohexanone 1798.09
    propylene glycol 389.28
    isopropyl acetate 764.11
    DMAc 888.0
    2-ethoxyethanol 818.06
    isopentanol 730.33
    n-heptane 18.97
    ethyl formate 813.29
    1,2-dichloroethane 2085.39
    n-hexanol 490.97
    2-methoxyethanol 1729.46
    isobutyl acetate 364.8
    tetrachloromethane 263.23
    n-pentyl acetate 371.37
    transcutol 3802.29
    n-heptanol 143.73
    ethylbenzene 151.08
    MIBK 577.82
    2-propoxyethanol 829.11
    tert-butanol 1153.08
    MTBE 701.3
    2-butoxyethanol 376.22
    propionic acid 999.59
    o-xylene 216.22
    formic acid 619.53
    diethyl ether 856.47
    m-xylene 261.96
    p-xylene 204.37
    chlorobenzene 729.27
    dimethyl carbonate 284.63
    n-octane 8.72
    formamide 943.39
    cyclopentanone 1777.59
    2-pentanone 1180.52
    anisole 380.09
    cyclopentyl methyl ether 807.69
    gamma-butyrolactone 2013.3
    1-methoxy-2-propanol 1176.43
    pyridine 1279.2
    3-pentanone 652.25
    furfural 1564.94
    n-dodecane 8.33
    diethylene glycol 774.03
    diisopropyl ether 191.08
    tert-amyl alcohol 703.94
    acetylacetone 1356.66
    n-hexadecane 10.26
    acetophenone 425.06
    methyl propionate 844.0
    isopentyl acetate 658.27
    trichloroethylene 3614.95
    n-nonanol 135.63
    cyclohexanol 774.58
    benzyl alcohol 422.31
    2-ethylhexanol 251.38
    isooctanol 124.31
    dipropyl ether 258.18
    1,2-dichlorobenzene 629.82
    ethyl lactate 254.86
    propylene carbonate 918.87
    n-methylformamide 1069.22
    2-pentanol 537.23
    n-pentane 36.66
    1-propoxy-2-propanol 624.19
    1-methoxy-2-propyl acetate 700.38
    2-(2-methoxypropoxy) propanol 469.32
    mesitylene 166.16
    ε-caprolactone 1322.36
    p-cymene 113.58
    epichlorohydrin 2193.03
    1,1,1-trichloroethane 1391.31
    2-aminoethanol 615.84
    morpholine-4-carbaldehyde 1149.35
    sulfolane 2428.26
    2,2,4-trimethylpentane 25.47
    2-methyltetrahydrofuran 1212.71
    n-hexyl acetate 504.03
    isooctane 22.83
    2-(2-butoxyethoxy)ethanol 703.83
    sec-butyl acetate 421.41
    tert-butyl acetate 701.03
    decalin 42.01
    glycerin 503.08
    diglyme 1288.71
    acrylic acid 831.77
    isopropyl myristate 158.16
    n-butyric acid 1629.01
    acetyl acetate 901.13
    di(2-ethylhexyl) phthalate 173.65
    ethyl propionate 553.02
    nitromethane 2800.76
    1,2-diethoxyethane 852.22
    benzonitrile 669.89
    trioctyl phosphate 118.78
    1-bromopropane 832.42
    gamma-valerolactone 1952.31
    n-decanol 96.02
    triethyl phosphate 175.14
    4-methyl-2-pentanol 257.84
    propionitrile 832.12
    vinylene carbonate 864.16
    1,1,2-trichlorotrifluoroethane 1599.57
    DMS 444.05
    cumene 105.25
    2-octanol 102.34
    2-hexanone 607.03
    octyl acetate 198.64
    limonene 185.91
    1,2-dimethoxyethane 1131.16
    ethyl orthosilicate 165.75
    tributyl phosphate 181.04
    diacetone alcohol 761.67
    N,N-dimethylaniline 215.2
    acrylonitrile 1139.2
    aniline 601.63
    1,3-propanediol 938.95
    bromobenzene 780.34
    dibromomethane 1802.26
    1,1,2,2-tetrachloroethane 2529.94
    2-methyl-cyclohexyl acetate 307.99
    tetrabutyl urea 217.09
    diisobutyl methanol 144.63
    2-phenylethanol 391.15
    styrene 231.6
    dioctyl adipate 273.49
    dimethyl sulfate 505.32
    ethyl butyrate 445.5
    methyl lactate 401.81
    butyl lactate 342.78
    diethyl carbonate 288.64
    propanediol butyl ether 490.57
    triethyl orthoformate 267.52
    p-tert-butyltoluene 109.36
    methyl 4-tert-butylbenzoate 317.14
    morpholine 1612.07
    tert-butylamine 551.96
    n-dodecanol 70.6
    dimethoxymethane 849.38
    ethylene carbonate 715.04
    cyrene 354.29
    2-ethoxyethyl acetate 615.43
    2-ethylhexyl acetate 446.49
    1,2,4-trichlorobenzene 742.57
    4-methylpyridine 1105.36
    dibutyl ether 265.38
    2,6-dimethyl-4-heptanol 144.63
    DEF 1018.79
    dimethyl isosorbide 672.66
    tetrachloroethylene 1480.11
    eugenol 323.93
    triacetin 520.04
    span 80 383.83
    1,4-butanediol 326.22
    1,1-dichloroethane 1735.6
    2-methyl-1-pentanol 444.12
    methyl formate 760.21
    2-methyl-1-butanol 615.36
    n-decane 15.25
    butyronitrile 964.1
    3,7-dimethyl-1-octanol 209.38
    1-chlorooctane 116.05
    1-chlorotetradecane 40.32
    n-nonane 14.67
    undecane 10.59
    tert-butylcyclohexane 35.11
    cyclooctane 25.06
    cyclopentanol 759.18
    tetrahydropyran 1292.81
    tert-amyl methyl ether 417.21
    2,5,8-trioxanonane 805.62
    1-hexene 209.27
    2-isopropoxyethanol 515.46
    2,2,2-trifluoroethanol 479.51
    methyl butyrate 812.96

    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