1,3-Dioxan-5-ol, 2-hexyl-

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  • Identifiers

    CAS number
    1708-36-7

    Molecular formula
    C10H20O3

    SMILES
    CCCCCCC1OCC(CO1)O

  • Odor profile

    Fragrance
    Sweet 64.99%
    Green 62.82%
    Fresh 53.29%
    Fatty 47.71%
    Herbal 47.59%
    Earthy 44.28%
    Oily 44.21%
    Fruity 40.82%
    Mushroom 36.92%
    Floral 36.57%

     

    Flavor
    Fatty 47.63%
    Sweet 42.28%
    Oily 39.34%
    Coconut 37.97%
    Creamy 34.89%
    Green 33.31%
    Waxy 32.17%
    Metallic 31.04%
    Peach 27.44%
    Caramel 27.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.83 (neutral)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 119.03 ˚C est.

  • Synonyms

    • 2-Hexyl-1,3-dioxan-5-ol
    • Heptanal 1,3-glyceryl acetal
    • 1,3-Dioxan-5-ol, 2-hexyl-
    • 1708-36-7
    • trans-2-Hexyl-1,3-dioxan-5-ol
    • 18550-94-2
    • m-Dioxan-5-ol, 2-hexyl-
    • 1,3-Dioxan-5-ol, 2-hexyl-, cis-
    • 1,3-Dioxan-5-ol, 2-hexyl-, trans-
    • cis2-Hexyl-1,3-dioxan-5-ol
    • 18445-22-2
    • 4VH761HOSR
    • DTXSID8061898
    • 2-hexyl-5-hydroxy-1,3-dioxane
    • UNII-4VH761HOSR
    • EINECS 216-961-6
    • EINECS 242-327-3
    • EINECS 242-421-4
    • 2-Hexyl-m-Dioxan-5-ol
    • SCHEMBL1681840
    • DTXCID4035463
    • DTXSID40885055
    • DTXSID90885045
    • 2-Hexyl-cis-1,3-Dioxan-5-ol
    • CHEBI:171762
    • ZIWLHBBLQRQFSA-AOOOYVTPSA-N
    • ZIWLHBBLQRQFSA-MGCOHNPYSA-N
    • ZIWLHBBLQRQFSA-UHFFFAOYSA-N
    • 2-Hexyl-trans-1,3-Dioxan-5-ol
    • AKOS040752007
    • FEMA NO. 2542, 1,3-ACETAL
    • NS00012604
    • NS00085508
    • HEPTANAL, CYCLIC 2-HYDROXYTRIMETHYLENE ACETAL
    • Q27260563

  • Applications

    1,3-Dioxan-5-ol, 2-hexyl- (CAS 1708-36-7) is primarily used as a chemical intermediate and building block in fragrance chemistry, where it can serve as a precursor to aroma compounds and related derivatives. It may function as a specialty solvent or processing aid in organic synthesis and formulation work. In polymers, plastics and coatings, it can act as a building block for cyclic acetal structures used in resin formulations or as a synthetic intermediate for specialty materials. It is also evaluated for use in cosmetics/personal care as a fragrance ingredient or functional intermediate, with formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2539.05
    methanol 3319.58
    isopropanol 1591.97
    water 0.89
    ethyl acetate 1716.82
    n-propanol 1557.59
    acetone 2245.37
    n-butanol 1451.21
    acetonitrile 1343.78
    DMF 1046.42
    toluene 262.69
    isobutanol 986.59
    1,4-dioxane 1393.14
    methyl acetate 971.62
    THF 1961.9
    2-butanone 1089.69
    n-pentanol 739.89
    sec-butanol 1004.25
    n-hexane 74.07
    ethylene glycol 327.33
    NMP 598.85
    cyclohexane 158.49
    DMSO 3769.18
    n-butyl acetate 1120.99
    n-octanol 247.72
    chloroform 2050.42
    n-propyl acetate 905.82
    acetic acid 2042.84
    dichloromethane 2185.56
    cyclohexanone 1373.31
    propylene glycol 452.29
    isopropyl acetate 924.39
    DMAc 588.14
    2-ethoxyethanol 1096.66
    isopentanol 1040.14
    n-heptane 57.73
    ethyl formate 954.53
    1,2-dichloroethane 1519.87
    n-hexanol 745.99
    2-methoxyethanol 2006.11
    isobutyl acetate 473.08
    tetrachloromethane 298.11
    n-pentyl acetate 488.21
    transcutol 3386.87
    n-heptanol 253.53
    ethylbenzene 139.27
    MIBK 597.74
    2-propoxyethanol 1002.98
    tert-butanol 1687.7
    MTBE 989.3
    2-butoxyethanol 543.83
    propionic acid 1018.67
    o-xylene 178.07
    formic acid 608.79
    diethyl ether 1249.43
    m-xylene 202.52
    p-xylene 186.8
    chlorobenzene 512.32
    dimethyl carbonate 232.4
    n-octane 23.61
    formamide 798.58
    cyclopentanone 1313.03
    2-pentanone 1155.57
    anisole 329.43
    cyclopentyl methyl ether 854.31
    gamma-butyrolactone 1451.54
    1-methoxy-2-propanol 1355.88
    pyridine 1052.62
    3-pentanone 570.02
    furfural 1199.81
    n-dodecane 18.31
    diethylene glycol 817.98
    diisopropyl ether 283.2
    tert-amyl alcohol 954.97
    acetylacetone 1121.6
    n-hexadecane 21.46
    acetophenone 371.41
    methyl propionate 803.46
    isopentyl acetate 802.6
    trichloroethylene 2377.87
    n-nonanol 203.03
    cyclohexanol 890.8
    benzyl alcohol 381.53
    2-ethylhexanol 395.03
    isooctanol 214.98
    dipropyl ether 487.17
    1,2-dichlorobenzene 451.9
    ethyl lactate 302.71
    propylene carbonate 851.47
    n-methylformamide 857.75
    2-pentanol 885.75
    n-pentane 85.35
    1-propoxy-2-propanol 844.14
    1-methoxy-2-propyl acetate 726.69
    2-(2-methoxypropoxy) propanol 445.71
    mesitylene 142.52
    ε-caprolactone 1217.72
    p-cymene 134.49
    epichlorohydrin 1666.84
    1,1,1-trichloroethane 1107.67
    2-aminoethanol 756.26
    morpholine-4-carbaldehyde 885.49
    sulfolane 1556.22
    2,2,4-trimethylpentane 46.72
    2-methyltetrahydrofuran 1302.83
    n-hexyl acetate 549.08
    isooctane 40.29
    2-(2-butoxyethoxy)ethanol 698.43
    sec-butyl acetate 525.11
    tert-butyl acetate 776.51
    decalin 59.3
    glycerin 543.49
    diglyme 1307.26
    acrylic acid 730.51
    isopropyl myristate 187.25
    n-butyric acid 1955.8
    acetyl acetate 878.56
    di(2-ethylhexyl) phthalate 170.06
    ethyl propionate 586.59
    nitromethane 2359.93
    1,2-diethoxyethane 1043.46
    benzonitrile 523.98
    trioctyl phosphate 139.22
    1-bromopropane 831.81
    gamma-valerolactone 1566.67
    n-decanol 142.42
    triethyl phosphate 208.46
    4-methyl-2-pentanol 391.25
    propionitrile 887.67
    vinylene carbonate 745.11
    1,1,2-trichlorotrifluoroethane 1285.08
    DMS 362.17
    cumene 106.64
    2-octanol 170.86
    2-hexanone 663.9
    octyl acetate 229.87
    limonene 232.29
    1,2-dimethoxyethane 1421.36
    ethyl orthosilicate 216.94
    tributyl phosphate 201.29
    diacetone alcohol 746.74
    N,N-dimethylaniline 197.87
    acrylonitrile 947.03
    aniline 487.85
    1,3-propanediol 1208.73
    bromobenzene 525.06
    dibromomethane 1471.74
    1,1,2,2-tetrachloroethane 1767.97
    2-methyl-cyclohexyl acetate 354.42
    tetrabutyl urea 218.07
    diisobutyl methanol 222.75
    2-phenylethanol 385.06
    styrene 200.11
    dioctyl adipate 288.91
    dimethyl sulfate 361.62
    ethyl butyrate 619.19
    methyl lactate 371.9
    butyl lactate 406.23
    diethyl carbonate 362.85
    propanediol butyl ether 542.77
    triethyl orthoformate 370.83
    p-tert-butyltoluene 127.86
    methyl 4-tert-butylbenzoate 311.04
    morpholine 1734.03
    tert-butylamine 853.9
    n-dodecanol 105.17
    dimethoxymethane 840.51
    ethylene carbonate 705.3
    cyrene 316.23
    2-ethoxyethyl acetate 657.0
    2-ethylhexyl acetate 556.64
    1,2,4-trichlorobenzene 515.43
    4-methylpyridine 815.75
    dibutyl ether 424.66
    2,6-dimethyl-4-heptanol 222.75
    DEF 893.05
    dimethyl isosorbide 627.79
    tetrachloroethylene 1261.84
    eugenol 300.56
    triacetin 504.9
    span 80 404.4
    1,4-butanediol 421.88
    1,1-dichloroethane 1356.15
    2-methyl-1-pentanol 555.25
    methyl formate 638.43
    2-methyl-1-butanol 861.46
    n-decane 33.11
    butyronitrile 1183.54
    3,7-dimethyl-1-octanol 280.48
    1-chlorooctane 164.23
    1-chlorotetradecane 57.39
    n-nonane 34.28
    undecane 23.0
    tert-butylcyclohexane 52.7
    cyclooctane 51.01
    cyclopentanol 844.03
    tetrahydropyran 1521.8
    tert-amyl methyl ether 540.56
    2,5,8-trioxanonane 787.97
    1-hexene 307.47
    2-isopropoxyethanol 674.87
    2,2,2-trifluoroethanol 475.61
    methyl butyrate 926.73

    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