1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-

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  • Identifiers

    CAS number
    71832-77-4

    Molecular formula
    C17H30O4

    SMILES
    CCCCCCOC[C@H](C=O)C(=O)[C@@H](C)[C@@H](C)C(=O)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 39.43%
    Herbal 35.31%
    Woody 31.38%
    Fresh 28.31%
    Oily 27.34%
    Mint 27.3%
    Dry 23.66%
    Grapefruit 23.63%
    Floral 23.26%
    Cooling 23.02%

     

    Flavor
    Fruity 48.57%
    Berry 23.5%
    Green 22.86%
    Oily 22.4%
    Tropical 21.35%
    Acrid 20.04%
    Mushroom 19.87%
    Roquefort cheese 19.69%
    Grape skin 19.67%
    Light 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.02 (neutral)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 163.25 ˚C est.

  • Synonyms

    • 2-Hexoxyacetaldehyde dipropylene glycol acetal
    • 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-
    • 1,3,6-Trioxocane, 2-[(hexyloxy)methyl]dimethyl-
    • RefChem:217584
    • 71832-77-4
    • 71832-77-4

  • Applications

    1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-, CAS 71832-77-4 is a cyclic carbonate derivative that can serve as a polymer synthesis intermediate; it may function as a monomer or co-monomer for carbonate-containing polymers and network resins. It is also used as a reactive diluent or plasticizer in UV-curable coatings, paints, and adhesives, enabling viscosity control and mechanical performance. As a building block for functionalized monomers, it is commonly evaluated for tailoring polymer properties. In electronics-related formulations, it may be considered as a component in gel polymer electrolytes or solid polymer electrolytes for batteries and other devices. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 564.49
    methanol 979.58
    isopropanol 449.88
    water 1.0
    ethyl acetate 1396.66
    n-propanol 494.8
    acetone 1295.23
    n-butanol 465.08
    acetonitrile 953.64
    DMF 1122.09
    toluene 442.97
    isobutanol 419.47
    1,4-dioxane 1000.06
    methyl acetate 957.71
    THF 1358.16
    2-butanone 1013.59
    n-pentanol 298.45
    sec-butanol 412.94
    n-hexane 14.74
    ethylene glycol 75.26
    NMP 1355.53
    cyclohexane 77.6
    DMSO 1546.42
    n-butyl acetate 572.07
    n-octanol 80.48
    chloroform 2240.32
    n-propyl acetate 566.2
    acetic acid 1146.22
    dichloromethane 2502.23
    cyclohexanone 1727.69
    propylene glycol 110.09
    isopropyl acetate 834.41
    DMAc 1280.72
    2-ethoxyethanol 521.23
    isopentanol 509.03
    n-heptane 6.14
    ethyl formate 620.23
    1,2-dichloroethane 1949.34
    n-hexanol 242.22
    2-methoxyethanol 838.04
    isobutyl acetate 356.22
    tetrachloromethane 388.7
    n-pentyl acetate 322.4
    transcutol 1369.39
    n-heptanol 97.27
    ethylbenzene 187.19
    MIBK 546.02
    2-propoxyethanol 472.22
    tert-butanol 652.8
    MTBE 587.51
    2-butoxyethanol 293.85
    propionic acid 635.11
    o-xylene 291.92
    formic acid 363.53
    diethyl ether 569.0
    m-xylene 269.37
    p-xylene 265.47
    chlorobenzene 713.65
    dimethyl carbonate 267.57
    n-octane 4.26
    formamide 592.56
    cyclopentanone 1558.87
    2-pentanone 878.28
    anisole 377.08
    cyclopentyl methyl ether 770.65
    gamma-butyrolactone 1865.65
    1-methoxy-2-propanol 580.8
    pyridine 1038.81
    3-pentanone 653.85
    furfural 1337.97
    n-dodecane 4.02
    diethylene glycol 354.64
    diisopropyl ether 147.68
    tert-amyl alcohol 541.54
    acetylacetone 1158.08
    n-hexadecane 4.91
    acetophenone 482.31
    methyl propionate 769.51
    isopentyl acetate 533.79
    trichloroethylene 2901.69
    n-nonanol 75.4
    cyclohexanol 691.35
    benzyl alcohol 357.88
    2-ethylhexanol 145.56
    isooctanol 91.5
    dipropyl ether 133.92
    1,2-dichlorobenzene 646.93
    ethyl lactate 204.29
    propylene carbonate 928.58
    n-methylformamide 684.79
    2-pentanol 301.69
    n-pentane 14.59
    1-propoxy-2-propanol 316.61
    1-methoxy-2-propyl acetate 521.23
    2-(2-methoxypropoxy) propanol 257.19
    mesitylene 157.05
    ε-caprolactone 1482.07
    p-cymene 95.65
    epichlorohydrin 1937.78
    1,1,1-trichloroethane 1660.74
    2-aminoethanol 203.12
    morpholine-4-carbaldehyde 1033.1
    sulfolane 1712.55
    2,2,4-trimethylpentane 22.44
    2-methyltetrahydrofuran 1128.89
    n-hexyl acetate 345.57
    isooctane 12.19
    2-(2-butoxyethoxy)ethanol 336.97
    sec-butyl acetate 416.09
    tert-butyl acetate 717.51
    decalin 39.24
    glycerin 192.39
    diglyme 773.09
    acrylic acid 478.28
    isopropyl myristate 94.04
    n-butyric acid 1103.23
    acetyl acetate 895.71
    di(2-ethylhexyl) phthalate 127.77
    ethyl propionate 513.36
    nitromethane 2110.6
    1,2-diethoxyethane 441.17
    benzonitrile 525.91
    trioctyl phosphate 79.99
    1-bromopropane 732.06
    gamma-valerolactone 1875.64
    n-decanol 49.46
    triethyl phosphate 170.44
    4-methyl-2-pentanol 183.46
    propionitrile 615.78
    vinylene carbonate 760.06
    1,1,2-trichlorotrifluoroethane 1123.2
    DMS 362.45
    cumene 115.44
    2-octanol 68.21
    2-hexanone 465.66
    octyl acetate 124.88
    limonene 154.53
    1,2-dimethoxyethane 907.38
    ethyl orthosilicate 161.16
    tributyl phosphate 117.17
    diacetone alcohol 604.34
    N,N-dimethylaniline 240.91
    acrylonitrile 732.0
    aniline 530.42
    1,3-propanediol 428.48
    bromobenzene 735.83
    dibromomethane 1503.56
    1,1,2,2-tetrachloroethane 2161.03
    2-methyl-cyclohexyl acetate 270.15
    tetrabutyl urea 139.88
    diisobutyl methanol 86.92
    2-phenylethanol 283.96
    styrene 259.68
    dioctyl adipate 177.33
    dimethyl sulfate 501.55
    ethyl butyrate 364.23
    methyl lactate 271.85
    butyl lactate 246.59
    diethyl carbonate 235.75
    propanediol butyl ether 220.25
    triethyl orthoformate 217.92
    p-tert-butyltoluene 84.67
    methyl 4-tert-butylbenzoate 295.23
    morpholine 1252.26
    tert-butylamine 310.97
    n-dodecanol 34.87
    dimethoxymethane 636.81
    ethylene carbonate 768.29
    cyrene 338.02
    2-ethoxyethyl acetate 506.49
    2-ethylhexyl acetate 391.31
    1,2,4-trichlorobenzene 737.39
    4-methylpyridine 1063.65
    dibutyl ether 124.43
    2,6-dimethyl-4-heptanol 86.92
    DEF 932.77
    dimethyl isosorbide 509.6
    tetrachloroethylene 1456.73
    eugenol 268.71
    triacetin 356.99
    span 80 209.95
    1,4-butanediol 161.73
    1,1-dichloroethane 1679.73
    2-methyl-1-pentanol 340.83
    methyl formate 516.89
    2-methyl-1-butanol 454.9
    n-decane 7.37
    butyronitrile 611.73
    3,7-dimethyl-1-octanol 110.4
    1-chlorooctane 67.26
    1-chlorotetradecane 21.16
    n-nonane 6.43
    undecane 5.09
    tert-butylcyclohexane 28.75
    cyclooctane 15.51
    cyclopentanol 619.43
    tetrahydropyran 1158.07
    tert-amyl methyl ether 419.1
    2,5,8-trioxanonane 447.42
    1-hexene 104.38
    2-isopropoxyethanol 363.39
    2,2,2-trifluoroethanol 488.52
    methyl butyrate 756.88

    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