Butyraldehyde, cyclic acetal with glycerol

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  • Identifiers

    CAS number
    94918-97-5

    Molecular formula
    C7H14O3

    SMILES
    CCCC1OCC(CO1)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.83%
    Ethereal 46.89%
    Sweet 42.77%
    Green 42.6%
    Fermented 41.12%
    Caramellic 33.53%
    Alcoholic 33.24%
    Fatty 32.85%
    Buttery 32.27%
    Oily 31.89%

     

    Flavor
    Sweet 53.26%
    Caramel 42.71%
    Vegetable 33.4%
    Oily 29.89%
    Fatty 28.97%
    Nutty 25.99%
    Coconut 25.86%
    Cauliflower 25.73%
    Warm 25.62%
    Roasted 25.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.0 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    230°C

    Flash point

    • 91.06 ˚C est.

  • Synonyms

    • Butyraldehyde, cyclic acetal with glycerol
    • EINECS 305-651-7
    • 94918-97-5
    • DTXSID10241689
    • RefChem:122349
    • DTXCID90164180
    • 305-651-7
    • 2-propyl-1,3-dioxan-5-ol
    • 75825-63-7
    • (2s,5s)-2-propyl-1,3-dioxan-5-ol
    • SCHEMBL4867685
    • cis-2-Propyl-1,3-dioxan-5-ol
    • 5-hydroxy-2-propyl-1,3-dioxane
    • DTXSID201309352
    • 94918-97-5

  • Applications

    Butyraldehyde, cyclic acetal with glycerol (CAS 94918-97-5) is primarily used as an acetal protecting group for butyraldehyde in organic synthesis. It also serves as a chemical intermediate and processing aid, functioning as a solvent or medium in coatings and inks, and it is evaluated as a building block for specialty polymers and plastic formulations. The compound can be used as a fragrance-related intermediate in perfumery or flavor chemistry, and may contribute to adhesive formulations where controlled volatility is advantageous; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 720.02
    methanol 1331.46
    isopropanol 398.49
    water 20.49
    ethyl acetate 175.27
    n-propanol 431.7
    acetone 403.66
    n-butanol 350.26
    acetonitrile 319.82
    DMF 531.84
    toluene 41.48
    isobutanol 285.77
    1,4-dioxane 349.6
    methyl acetate 188.09
    THF 474.42
    2-butanone 207.57
    n-pentanol 192.09
    sec-butanol 273.4
    n-hexane 10.42
    ethylene glycol 319.51
    NMP 412.07
    cyclohexane 27.17
    DMSO 1548.49
    n-butyl acetate 197.01
    n-octanol 91.46
    chloroform 642.18
    n-propyl acetate 138.02
    acetic acid 1165.92
    dichloromethane 668.03
    cyclohexanone 359.32
    propylene glycol 280.03
    isopropyl acetate 99.83
    DMAc 301.9
    2-ethoxyethanol 339.68
    isopentanol 234.16
    n-heptane 13.83
    ethyl formate 254.02
    1,2-dichloroethane 340.64
    n-hexanol 180.04
    2-methoxyethanol 615.62
    isobutyl acetate 85.98
    tetrachloromethane 97.62
    n-pentyl acetate 105.19
    transcutol 850.27
    n-heptanol 82.58
    ethylbenzene 32.32
    MIBK 95.54
    2-propoxyethanol 296.68
    tert-butanol 412.68
    MTBE 142.27
    2-butoxyethanol 169.13
    propionic acid 490.4
    o-xylene 48.64
    formic acid 656.67
    diethyl ether 112.22
    m-xylene 42.55
    p-xylene 51.38
    chlorobenzene 140.03
    dimethyl carbonate 67.84
    n-octane 6.33
    formamide 584.3
    cyclopentanone 441.53
    2-pentanone 153.26
    anisole 95.86
    cyclopentyl methyl ether 165.7
    gamma-butyrolactone 598.19
    1-methoxy-2-propanol 333.97
    pyridine 286.19
    3-pentanone 97.52
    furfural 577.69
    n-dodecane 6.27
    diethylene glycol 334.15
    diisopropyl ether 34.47
    tert-amyl alcohol 277.07
    acetylacetone 208.24
    n-hexadecane 7.01
    acetophenone 131.93
    methyl propionate 135.32
    isopentyl acetate 153.34
    trichloroethylene 669.45
    n-nonanol 73.82
    cyclohexanol 247.59
    benzyl alcohol 145.64
    2-ethylhexanol 106.09
    isooctanol 70.23
    dipropyl ether 79.36
    1,2-dichlorobenzene 153.88
    ethyl lactate 110.21
    propylene carbonate 329.75
    n-methylformamide 441.69
    2-pentanol 163.23
    n-pentane 13.47
    1-propoxy-2-propanol 212.7
    1-methoxy-2-propyl acetate 151.13
    2-(2-methoxypropoxy) propanol 174.05
    mesitylene 35.16
    ε-caprolactone 333.33
    p-cymene 44.83
    epichlorohydrin 447.88
    1,1,1-trichloroethane 237.3
    2-aminoethanol 433.62
    morpholine-4-carbaldehyde 406.61
    sulfolane 800.56
    2,2,4-trimethylpentane 13.12
    2-methyltetrahydrofuran 300.45
    n-hexyl acetate 150.3
    isooctane 9.0
    2-(2-butoxyethoxy)ethanol 236.28
    sec-butyl acetate 77.63
    tert-butyl acetate 114.97
    decalin 15.37
    glycerin 405.87
    diglyme 422.57
    acrylic acid 495.54
    isopropyl myristate 54.82
    n-butyric acid 523.21
    acetyl acetate 160.66
    di(2-ethylhexyl) phthalate 76.18
    ethyl propionate 95.13
    nitromethane 937.66
    1,2-diethoxyethane 164.71
    benzonitrile 198.8
    trioctyl phosphate 59.93
    1-bromopropane 137.5
    gamma-valerolactone 482.8
    n-decanol 54.84
    triethyl phosphate 75.44
    4-methyl-2-pentanol 83.13
    propionitrile 222.39
    vinylene carbonate 319.43
    1,1,2-trichlorotrifluoroethane 536.81
    DMS 118.95
    cumene 32.06
    2-octanol 56.22
    2-hexanone 121.56
    octyl acetate 75.04
    limonene 69.64
    1,2-dimethoxyethane 367.46
    ethyl orthosilicate 69.44
    tributyl phosphate 79.41
    diacetone alcohol 186.85
    N,N-dimethylaniline 74.59
    acrylonitrile 336.43
    aniline 152.1
    1,3-propanediol 480.77
    bromobenzene 124.03
    dibromomethane 372.26
    1,1,2,2-tetrachloroethane 507.87
    2-methyl-cyclohexyl acetate 115.01
    tetrabutyl urea 92.04
    diisobutyl methanol 62.27
    2-phenylethanol 136.51
    styrene 46.33
    dioctyl adipate 103.02
    dimethyl sulfate 163.82
    ethyl butyrate 120.38
    methyl lactate 146.36
    butyl lactate 134.26
    diethyl carbonate 93.12
    propanediol butyl ether 235.39
    triethyl orthoformate 93.93
    p-tert-butyltoluene 42.45
    methyl 4-tert-butylbenzoate 138.16
    morpholine 408.77
    tert-butylamine 201.38
    n-dodecanol 42.09
    dimethoxymethane 184.27
    ethylene carbonate 247.77
    cyrene 176.33
    2-ethoxyethyl acetate 135.98
    2-ethylhexyl acetate 110.17
    1,2,4-trichlorobenzene 196.82
    4-methylpyridine 207.07
    dibutyl ether 77.46
    2,6-dimethyl-4-heptanol 62.27
    DEF 206.45
    dimethyl isosorbide 239.73
    tetrachloroethylene 390.08
    eugenol 139.84
    triacetin 185.3
    span 80 166.74
    1,4-butanediol 207.76
    1,1-dichloroethane 266.7
    2-methyl-1-pentanol 147.76
    methyl formate 342.33
    2-methyl-1-butanol 228.62
    n-decane 9.82
    butyronitrile 240.95
    3,7-dimethyl-1-octanol 97.37
    1-chlorooctane 45.39
    1-chlorotetradecane 18.44
    n-nonane 9.46
    undecane 7.44
    tert-butylcyclohexane 14.28
    cyclooctane 10.19
    cyclopentanol 317.84
    tetrahydropyran 275.96
    tert-amyl methyl ether 101.05
    2,5,8-trioxanonane 287.48
    1-hexene 40.67
    2-isopropoxyethanol 196.58
    2,2,2-trifluoroethanol 357.71
    methyl butyrate 163.81

    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