1,3-Dioxan-5-ol

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  • Identifiers

    CAS number
    4740-78-7

    Molecular formula
    C4H8O3

    SMILES
    C1C(COCO1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 37.51%
    Odorless 33.02%
    Ethereal 28.92%
    Caramellic 28.55%
    Solvent 26.13%
    Alcoholic 25.74%
    Fishy 22.14%
    Musty 21.26%
    Oily 20.52%
    Fruity 19.19%

     

    Flavor
    Sweet 58.97%
    Bitter 42.58%
    Caramel 35.56%
    Fatty 27.99%
    Oily 27.61%
    Vegetable 24.68%
    Cauliflower 24.59%
    Warm 24.13%
    Bread 22.95%
    Coconut 22.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    6.32 (neutral)

    Molecular weight
    104.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 86.43 ˚C est.

  • Synonyms

    • 1,3-Dioxan-5-ol
    • 4740-78-7
    • 5-Hydroxy-1,3-dioxane
    • m-Dioxan-5-ol
    • Glycerol formal, alpha,alpha'
    • UNII-F6UP32GBII
    • F6UP32GBII
    • 5-Hydroxy-m-dioxane
    • EINECS 225-248-9
    • DTXSID20197128
    • GLYCEROL FORMAL, .ALPHA.,.ALPHA'
    • RefChem:72763
    • DTXCID30119619
    • GLYCEROL FORMAL, ALPHA,.ALPHA'
    • VCKSNYNNVSOWEE-UHFFFAOYSA-N
    • 1,3-Formalglycerol
    • MFCD00014645
    • GLYCEROLFORMAL
    • Glycerol formal CRS
    • Glycerol formal (=1,3-dioxan-5-ol)
    • Glycamal/Glycerol Formal
    • alpha,.alpha'glycerol formal
    • 4-Hydroxyethyl-1,3-dioxlane
    • SCHEMBL337298
    • SCHEMBL10351808
    • BB_SC-07035
    • BBL011466
    • STL146578
    • AKOS005720978
    • FG31104
    • DS-18121
    • SY039164
    • G0391
    • NS00031684
    • ST50409435
    • 687D050
    • F069030
    • Q27277728
    • 1,3-Dioxan-5-ol; m-Dioxan-5-ol; 1,3-Formalglycerol; 5-Hydroxy-1,3-dioxane; 5-Hydroxy-m-dioxane; Glycerol formal
    • 4740-78-7

  • Applications

    1,3-Dioxan-5-ol is primarily used as an intermediate in organic synthesis, providing a versatile building block for the manufacture of fine chemicals, including pharmaceuticals and agrochemicals. It may also function as a solvent or co-solvent in specialty formulations and as a processing aid for coatings, inks, and cleaners. In polymer and plastics chemistry, it can serve as a processing precursor or as a reactive partner facilitating crosslinking to modify material properties under appropriate conditions. In perfumery and cosmetics, it may be encountered as a fragrance-related intermediate or odorant component, used with regulatory awareness. Additionally, it can act as a protecting group or building block in carbohydrate chemistry and other fine chemical syntheses. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 266.4
    methanol 680.88
    isopropanol 108.08
    water 946.55
    ethyl acetate 25.62
    n-propanol 130.3
    acetone 59.06
    n-butanol 82.88
    acetonitrile 69.56
    DMF 320.12
    toluene 2.49
    isobutanol 56.84
    1,4-dioxane 67.74
    methyl acetate 36.88
    THF 88.47
    2-butanone 28.43
    n-pentanol 29.78
    sec-butanol 58.91
    n-hexane 0.76
    ethylene glycol 370.71
    NMP 218.15
    cyclohexane 2.44
    DMSO 396.73
    n-butyl acetate 17.08
    n-octanol 13.54
    chloroform 46.16
    n-propyl acetate 13.41
    acetic acid 1291.2
    dichloromethane 50.37
    cyclohexanone 44.82
    propylene glycol 180.02
    isopropyl acetate 10.81
    DMAc 163.22
    2-ethoxyethanol 140.24
    isopentanol 32.0
    n-heptane 2.5
    ethyl formate 50.62
    1,2-dichloroethane 24.06
    n-hexanol 25.93
    2-methoxyethanol 377.69
    isobutyl acetate 6.42
    tetrachloromethane 8.79
    n-pentyl acetate 9.96
    transcutol 186.03
    n-heptanol 15.02
    ethylbenzene 1.24
    MIBK 8.67
    2-propoxyethanol 90.6
    tert-butanol 66.68
    MTBE 11.37
    2-butoxyethanol 48.14
    propionic acid 210.29
    o-xylene 3.18
    formic acid 1748.08
    diethyl ether 16.22
    m-xylene 2.77
    p-xylene 2.05
    chlorobenzene 7.42
    dimethyl carbonate 15.45
    n-octane 0.96
    formamide 1131.05
    cyclopentanone 66.05
    2-pentanone 18.74
    anisole 7.64
    cyclopentyl methyl ether 23.89
    gamma-butyrolactone 128.93
    1-methoxy-2-propanol 141.33
    pyridine 44.79
    3-pentanone 14.09
    furfural 136.66
    n-dodecane 0.79
    diethylene glycol 165.5
    diisopropyl ether 3.33
    tert-amyl alcohol 40.99
    acetylacetone 23.75
    n-hexadecane 0.81
    acetophenone 12.45
    methyl propionate 30.99
    isopentyl acetate 10.84
    trichloroethylene 47.62
    n-nonanol 11.74
    cyclohexanol 46.44
    benzyl alcohol 20.39
    2-ethylhexanol 11.06
    isooctanol 9.96
    dipropyl ether 13.61
    1,2-dichlorobenzene 8.01
    ethyl lactate 22.26
    propylene carbonate 47.89
    n-methylformamide 301.56
    2-pentanol 27.91
    n-pentane 1.72
    1-propoxy-2-propanol 53.12
    1-methoxy-2-propyl acetate 22.28
    2-(2-methoxypropoxy) propanol 41.2
    mesitylene 2.39
    ε-caprolactone 50.73
    p-cymene 3.71
    epichlorohydrin 71.84
    1,1,1-trichloroethane 11.77
    2-aminoethanol 366.9
    morpholine-4-carbaldehyde 190.52
    sulfolane 153.18
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 39.99
    n-hexyl acetate 13.61
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 58.11
    sec-butyl acetate 6.21
    tert-butyl acetate 10.91
    decalin 0.78
    glycerin 347.75
    diglyme 97.68
    acrylic acid 284.15
    isopropyl myristate 5.69
    n-butyric acid 168.1
    acetyl acetate 20.63
    di(2-ethylhexyl) phthalate 10.13
    ethyl propionate 10.53
    nitromethane 541.57
    1,2-diethoxyethane 21.38
    benzonitrile 17.92
    trioctyl phosphate 7.48
    1-bromopropane 9.01
    gamma-valerolactone 127.15
    n-decanol 8.36
    triethyl phosphate 10.21
    4-methyl-2-pentanol 9.54
    propionitrile 32.7
    vinylene carbonate 52.78
    1,1,2-trichlorotrifluoroethane 171.47
    DMS 12.84
    cumene 1.56
    2-octanol 7.39
    2-hexanone 9.04
    octyl acetate 8.82
    limonene 6.23
    1,2-dimethoxyethane 68.85
    ethyl orthosilicate 9.45
    tributyl phosphate 8.86
    diacetone alcohol 32.81
    N,N-dimethylaniline 8.0
    acrylonitrile 63.37
    aniline 22.31
    1,3-propanediol 317.42
    bromobenzene 4.42
    dibromomethane 25.5
    1,1,2,2-tetrachloroethane 34.91
    2-methyl-cyclohexyl acetate 11.41
    tetrabutyl urea 13.87
    diisobutyl methanol 7.27
    2-phenylethanol 17.04
    styrene 1.79
    dioctyl adipate 11.88
    dimethyl sulfate 37.33
    ethyl butyrate 14.61
    methyl lactate 48.8
    butyl lactate 17.46
    diethyl carbonate 9.83
    propanediol butyl ether 49.72
    triethyl orthoformate 13.34
    p-tert-butyltoluene 3.93
    methyl 4-tert-butylbenzoate 20.13
    morpholine 129.64
    tert-butylamine 25.62
    n-dodecanol 6.34
    dimethoxymethane 67.74
    ethylene carbonate 37.72
    cyrene 49.48
    2-ethoxyethyl acetate 17.73
    2-ethylhexyl acetate 8.2
    1,2,4-trichlorobenzene 10.96
    4-methylpyridine 22.32
    dibutyl ether 7.82
    2,6-dimethyl-4-heptanol 7.27
    DEF 53.54
    dimethyl isosorbide 53.4
    tetrachloroethylene 33.61
    eugenol 28.12
    triacetin 22.74
    span 80 38.37
    1,4-butanediol 107.33
    1,1-dichloroethane 14.59
    2-methyl-1-pentanol 13.87
    methyl formate 152.87
    2-methyl-1-butanol 36.36
    n-decane 1.23
    butyronitrile 27.59
    3,7-dimethyl-1-octanol 10.84
    1-chlorooctane 3.95
    1-chlorotetradecane 1.77
    n-nonane 1.16
    undecane 0.93
    tert-butylcyclohexane 0.72
    cyclooctane 1.02
    cyclopentanol 76.04
    tetrahydropyran 35.12
    tert-amyl methyl ether 10.76
    2,5,8-trioxanonane 78.06
    1-hexene 2.04
    2-isopropoxyethanol 50.59
    2,2,2-trifluoroethanol 457.55
    methyl butyrate 17.01

    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