Pentenyl-1,3-dioxan-5-ol, (E)-

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  • Identifiers

    CAS number
    897672-50-3

    Molecular formula
    C9H16O3

    SMILES
    CCC/C=C/C1OCC(CO1)O

  • Odor profile

    Fragrance
    Green 83.89%
    Fresh 54.08%
    Fatty 41.65%
    Fruity 38.63%
    Sweet 31.37%
    Leafy 31.11%
    Herbal 29.96%
    Melon 29.49%
    Metallic 29.31%
    Vegetable 28.81%

     

    Flavor
    Green 43.73%
    Fatty 36.57%
    Oily 33.58%
    Fresh 30.11%
    Herbal 27.7%
    Sweet 26.26%
    Metallic 25.39%
    Tropical 23.53%
    Waxy 23.23%
    Spicy 22.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.58 (neutral)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 112.64 ˚C est.

  • Synonyms

    • Pentenyl-1,3-dioxan-5-ol, (E)-
    • UNII-XY1VG02M50
    • FEMA no. 4273, (E)-dioxan-
    • XY1VG02M50
    • 1,3-Dioxan-5-ol, 2-(1E)-1-pentenyl-
    • 1,3-Dioxan-5-ol, 2-(1E)-1-penten-1-yl-
    • 897672-50-3
    • DTXSID50237884
    • DTXCID00160375
    • (E)-pentenyl-1,3-dioxan-5-ol
    • Q27294052

  • Applications

    Pentenyl-1,3-dioxan-5-ol, (E)- (CAS 897672-50-3) is primarily used as an intermediate in the synthesis of fragrance compounds and cosmetic ingredients, where its allyl-dioxane framework provides a handle for further modification. It is also employed as a reactive building block or co-monomer in specialty polymers and coatings, enabling incorporation of hydroxyl and acetal features into resin matrices. In coatings, inks, and adhesives, it may serve as a resin precursor or crosslinking component to improve film properties and formulation performance. In cleaning and household formulations, the compound can function as a processing solvent or fragrance carrier within perfuming formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 598.19
    methanol 811.18
    isopropanol 337.74
    water 2.87
    ethyl acetate 234.0
    n-propanol 348.54
    acetone 297.98
    n-butanol 318.72
    acetonitrile 183.77
    DMF 325.12
    toluene 52.28
    isobutanol 210.8
    1,4-dioxane 354.34
    methyl acetate 174.13
    THF 431.39
    2-butanone 160.44
    n-pentanol 187.4
    sec-butanol 215.1
    n-hexane 11.0
    ethylene glycol 200.3
    NMP 202.92
    cyclohexane 31.33
    DMSO 828.65
    n-butyl acetate 185.19
    n-octanol 80.63
    chloroform 481.46
    n-propyl acetate 135.73
    acetic acid 739.26
    dichloromethane 449.85
    cyclohexanone 253.53
    propylene glycol 222.98
    isopropyl acetate 128.89
    DMAc 233.2
    2-ethoxyethanol 335.77
    isopentanol 225.84
    n-heptane 12.31
    ethyl formate 176.91
    1,2-dichloroethane 282.81
    n-hexanol 192.13
    2-methoxyethanol 580.45
    isobutyl acetate 93.41
    tetrachloromethane 57.93
    n-pentyl acetate 85.43
    transcutol 919.53
    n-heptanol 76.31
    ethylbenzene 32.24
    MIBK 106.07
    2-propoxyethanol 306.05
    tert-butanol 380.01
    MTBE 164.24
    2-butoxyethanol 161.14
    propionic acid 278.69
    o-xylene 48.24
    formic acid 298.7
    diethyl ether 172.39
    m-xylene 51.08
    p-xylene 45.18
    chlorobenzene 110.91
    dimethyl carbonate 66.28
    n-octane 6.28
    formamide 272.72
    cyclopentanone 253.75
    2-pentanone 155.33
    anisole 89.32
    cyclopentyl methyl ether 168.49
    gamma-butyrolactone 316.42
    1-methoxy-2-propanol 371.16
    pyridine 206.97
    3-pentanone 91.4
    furfural 324.4
    n-dodecane 6.89
    diethylene glycol 335.78
    diisopropyl ether 46.4
    tert-amyl alcohol 231.39
    acetylacetone 197.27
    n-hexadecane 7.52
    acetophenone 106.06
    methyl propionate 142.28
    isopentyl acetate 155.8
    trichloroethylene 521.96
    n-nonanol 68.85
    cyclohexanol 219.52
    benzyl alcohol 125.43
    2-ethylhexanol 102.12
    isooctanol 63.5
    dipropyl ether 86.22
    1,2-dichlorobenzene 111.83
    ethyl lactate 99.41
    propylene carbonate 205.88
    n-methylformamide 205.3
    2-pentanol 178.39
    n-pentane 15.26
    1-propoxy-2-propanol 217.78
    1-methoxy-2-propyl acetate 158.88
    2-(2-methoxypropoxy) propanol 167.51
    mesitylene 41.19
    ε-caprolactone 231.58
    p-cymene 39.69
    epichlorohydrin 347.88
    1,1,1-trichloroethane 190.11
    2-aminoethanol 298.41
    morpholine-4-carbaldehyde 298.05
    sulfolane 382.24
    2,2,4-trimethylpentane 14.01
    2-methyltetrahydrofuran 247.84
    n-hexyl acetate 128.32
    isooctane 11.11
    2-(2-butoxyethoxy)ethanol 243.55
    sec-butyl acetate 85.73
    tert-butyl acetate 134.54
    decalin 16.31
    glycerin 301.15
    diglyme 411.62
    acrylic acid 247.67
    isopropyl myristate 53.24
    n-butyric acid 425.56
    acetyl acetate 168.02
    di(2-ethylhexyl) phthalate 66.59
    ethyl propionate 100.9
    nitromethane 536.31
    1,2-diethoxyethane 202.35
    benzonitrile 129.84
    trioctyl phosphate 50.02
    1-bromopropane 138.5
    gamma-valerolactone 331.77
    n-decanol 52.57
    triethyl phosphate 64.45
    4-methyl-2-pentanol 94.74
    propionitrile 146.65
    vinylene carbonate 195.58
    1,1,2-trichlorotrifluoroethane 383.63
    DMS 102.48
    cumene 31.07
    2-octanol 48.15
    2-hexanone 107.52
    octyl acetate 67.04
    limonene 60.24
    1,2-dimethoxyethane 340.74
    ethyl orthosilicate 64.63
    tributyl phosphate 62.85
    diacetone alcohol 180.53
    N,N-dimethylaniline 66.43
    acrylonitrile 186.8
    aniline 126.98
    1,3-propanediol 411.48
    bromobenzene 102.62
    dibromomethane 288.09
    1,1,2,2-tetrachloroethane 415.19
    2-methyl-cyclohexyl acetate 99.6
    tetrabutyl urea 74.4
    diisobutyl methanol 64.92
    2-phenylethanol 128.17
    styrene 43.5
    dioctyl adipate 90.51
    dimethyl sulfate 112.15
    ethyl butyrate 117.09
    methyl lactate 130.71
    butyl lactate 101.78
    diethyl carbonate 87.45
    propanediol butyl ether 190.09
    triethyl orthoformate 91.94
    p-tert-butyltoluene 38.79
    methyl 4-tert-butylbenzoate 106.43
    morpholine 401.98
    tert-butylamine 189.89
    n-dodecanol 42.38
    dimethoxymethane 208.06
    ethylene carbonate 169.92
    cyrene 145.78
    2-ethoxyethyl acetate 131.66
    2-ethylhexyl acetate 110.12
    1,2,4-trichlorobenzene 138.24
    4-methylpyridine 162.29
    dibutyl ether 74.94
    2,6-dimethyl-4-heptanol 64.92
    DEF 174.59
    dimethyl isosorbide 215.85
    tetrachloroethylene 293.27
    eugenol 115.95
    triacetin 144.8
    span 80 151.73
    1,4-butanediol 167.31
    1,1-dichloroethane 230.88
    2-methyl-1-pentanol 149.19
    methyl formate 160.88
    2-methyl-1-butanol 193.98
    n-decane 9.64
    butyronitrile 177.42
    3,7-dimethyl-1-octanol 83.32
    1-chlorooctane 41.29
    1-chlorotetradecane 19.8
    n-nonane 8.91
    undecane 7.77
    tert-butylcyclohexane 14.57
    cyclooctane 11.85
    cyclopentanol 205.87
    tetrahydropyran 282.73
    tert-amyl methyl ether 107.7
    2,5,8-trioxanonane 296.45
    1-hexene 43.48
    2-isopropoxyethanol 202.79
    2,2,2-trifluoroethanol 188.51
    methyl butyrate 144.33

    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