4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane

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  • Identifiers

    CAS number
    54355-74-7

    Molecular formula
    C8H16O3

    SMILES
    CC(C)CC1OCC(O1)CO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 83.82%
    Fermented 44.85%
    Ethereal 44.0%
    Green 41.04%
    Buttery 38.69%
    Cocoa 37.91%
    Sweet 37.66%
    Fatty 36.61%
    Alcoholic 33.12%
    Dairy 32.95%

     

    Flavor
    Green 38.9%
    Vegetable 31.95%
    Fatty 30.07%
    Oily 27.97%
    Roasted 27.62%
    Sweet 27.52%
    Metallic 26.32%
    Tropical 26.01%
    Earthy 23.98%
    Musty 23.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.42 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 95.45 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • (2-Isobutyl-1,3-dioxolan-4-yl)methanol
    • UNII-O34QKS457D
    • O34QKS457D
    • FEMA No. 4380, 1,3-dioxolane-
    • 4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
    • 1,3-Dioxolane-4-methanol, 2-(2-methylpropyl)-
    • 54355-74-7
    • (+-)-4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
    • 3-METHYLBUTYRALDEHYDE 1,2-GLYCERYL ACETAL
    • RefChem:198704
    • [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
    • SCHEMBL13431367
    • DTXSID60969447
    • VLJPLCWWQHTPAZ-UHFFFAOYSA-N
    • ISOVALERALDEHYDE GLYCERYL ACETAL
    • Q27285256
    • (+/-)-4-HYDROXYMETHYL-2-(2-METHYLPROPYL)-1,3-DIOXOLANE
    • 54355-74-7

  • Applications

    For 4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane (CAS 54355-74-7), practical applications include: acting as an intermediate in the synthesis of organic compounds, including pharmaceutical and agrochemical products; serving as a protecting group (acetal) for carbonyl functionality in multi-step syntheses; potentially used as a building block in fragrance and flavor chemistry; and may be used as a solvent or co-solvent in select formulations and manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 858.91
    methanol 1457.73
    isopropanol 606.14
    water 37.86
    ethyl acetate 162.52
    n-propanol 598.13
    acetone 349.4
    n-butanol 447.42
    acetonitrile 247.15
    DMF 505.1
    toluene 40.96
    isobutanol 396.62
    1,4-dioxane 347.29
    methyl acetate 183.19
    THF 562.79
    2-butanone 196.99
    n-pentanol 241.76
    sec-butanol 406.7
    n-hexane 12.9
    ethylene glycol 507.8
    NMP 441.53
    cyclohexane 28.77
    DMSO 905.55
    n-butyl acetate 157.9
    n-octanol 131.4
    chloroform 979.05
    n-propyl acetate 123.0
    acetic acid 1343.32
    dichloromethane 683.38
    cyclohexanone 360.22
    propylene glycol 673.22
    isopropyl acetate 106.61
    DMAc 322.91
    2-ethoxyethanol 368.54
    isopentanol 314.37
    n-heptane 13.14
    ethyl formate 236.41
    1,2-dichloroethane 285.31
    n-hexanol 260.88
    2-methoxyethanol 707.02
    isobutyl acetate 94.8
    tetrachloromethane 134.47
    n-pentyl acetate 103.05
    transcutol 723.49
    n-heptanol 124.25
    ethylbenzene 33.23
    MIBK 106.06
    2-propoxyethanol 376.36
    tert-butanol 555.85
    MTBE 155.78
    2-butoxyethanol 225.12
    propionic acid 605.18
    o-xylene 48.83
    formic acid 689.02
    diethyl ether 97.47
    m-xylene 46.31
    p-xylene 56.38
    chlorobenzene 131.94
    dimethyl carbonate 81.04
    n-octane 6.11
    formamide 506.01
    cyclopentanone 447.61
    2-pentanone 147.74
    anisole 102.37
    cyclopentyl methyl ether 175.53
    gamma-butyrolactone 591.09
    1-methoxy-2-propanol 468.79
    pyridine 255.87
    3-pentanone 92.54
    furfural 563.24
    n-dodecane 6.67
    diethylene glycol 441.82
    diisopropyl ether 34.57
    tert-amyl alcohol 354.56
    acetylacetone 192.51
    n-hexadecane 7.33
    acetophenone 135.51
    methyl propionate 141.57
    isopentyl acetate 150.36
    trichloroethylene 703.02
    n-nonanol 103.41
    cyclohexanol 328.87
    benzyl alcohol 171.98
    2-ethylhexanol 126.75
    isooctanol 102.45
    dipropyl ether 70.6
    1,2-dichlorobenzene 157.26
    ethyl lactate 137.17
    propylene carbonate 366.77
    n-methylformamide 403.22
    2-pentanol 230.58
    n-pentane 13.07
    1-propoxy-2-propanol 267.55
    1-methoxy-2-propyl acetate 163.68
    2-(2-methoxypropoxy) propanol 216.14
    mesitylene 39.28
    ε-caprolactone 325.37
    p-cymene 46.39
    epichlorohydrin 452.04
    1,1,1-trichloroethane 286.25
    2-aminoethanol 699.58
    morpholine-4-carbaldehyde 402.66
    sulfolane 751.3
    2,2,4-trimethylpentane 16.0
    2-methyltetrahydrofuran 301.61
    n-hexyl acetate 163.57
    isooctane 11.71
    2-(2-butoxyethoxy)ethanol 295.83
    sec-butyl acetate 78.43
    tert-butyl acetate 125.91
    decalin 15.75
    glycerin 781.88
    diglyme 437.1
    acrylic acid 614.76
    isopropyl myristate 61.9
    n-butyric acid 644.81
    acetyl acetate 165.09
    di(2-ethylhexyl) phthalate 94.41
    ethyl propionate 90.32
    nitromethane 837.46
    1,2-diethoxyethane 115.72
    benzonitrile 187.55
    trioctyl phosphate 74.71
    1-bromopropane 132.01
    gamma-valerolactone 518.04
    n-decanol 74.86
    triethyl phosphate 73.4
    4-methyl-2-pentanol 122.18
    propionitrile 213.27
    vinylene carbonate 352.21
    1,1,2-trichlorotrifluoroethane 684.33
    DMS 128.36
    cumene 36.53
    2-octanol 79.87
    2-hexanone 118.27
    octyl acetate 89.36
    limonene 69.01
    1,2-dimethoxyethane 356.88
    ethyl orthosilicate 69.12
    tributyl phosphate 87.37
    diacetone alcohol 234.91
    N,N-dimethylaniline 79.63
    acrylonitrile 292.92
    aniline 160.56
    1,3-propanediol 657.31
    bromobenzene 115.27
    dibromomethane 401.54
    1,1,2,2-tetrachloroethane 594.08
    2-methyl-cyclohexyl acetate 121.47
    tetrabutyl urea 98.78
    diisobutyl methanol 69.72
    2-phenylethanol 167.96
    styrene 41.02
    dioctyl adipate 114.75
    dimethyl sulfate 173.51
    ethyl butyrate 100.98
    methyl lactate 205.92
    butyl lactate 146.35
    diethyl carbonate 84.35
    propanediol butyl ether 321.74
    triethyl orthoformate 86.66
    p-tert-butyltoluene 45.61
    methyl 4-tert-butylbenzoate 166.6
    morpholine 454.22
    tert-butylamine 273.21
    n-dodecanol 57.32
    dimethoxymethane 190.37
    ethylene carbonate 268.21
    cyrene 218.98
    2-ethoxyethyl acetate 129.21
    2-ethylhexyl acetate 106.62
    1,2,4-trichlorobenzene 222.46
    4-methylpyridine 196.58
    dibutyl ether 65.15
    2,6-dimethyl-4-heptanol 69.72
    DEF 180.21
    dimethyl isosorbide 276.13
    tetrachloroethylene 409.27
    eugenol 179.03
    triacetin 196.49
    span 80 224.26
    1,4-butanediol 290.68
    1,1-dichloroethane 311.32
    2-methyl-1-pentanol 190.45
    methyl formate 317.98
    2-methyl-1-butanol 292.33
    n-decane 10.68
    butyronitrile 228.22
    3,7-dimethyl-1-octanol 124.32
    1-chlorooctane 51.41
    1-chlorotetradecane 20.58
    n-nonane 9.97
    undecane 8.02
    tert-butylcyclohexane 16.23
    cyclooctane 9.85
    cyclopentanol 444.16
    tetrahydropyran 285.09
    tert-amyl methyl ether 108.8
    2,5,8-trioxanonane 304.63
    1-hexene 44.59
    2-isopropoxyethanol 219.73
    2,2,2-trifluoroethanol 463.56
    methyl butyrate 145.97

    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