2-Benzyl-4-methyl-1,3-dioxolane

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  • Identifiers

    CAS number
    5468-05-3

    Molecular formula
    C11H14O2

    SMILES
    CC1COC(O1)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 84.45%
    Sweet 76.62%
    Green 74.04%
    Rose 66.24%
    Hyacinth 55.68%
    Honey 50.78%
    Fresh 49.88%
    Fruity 39.88%
    Earthy 34.95%
    Leafy 32.38%

     

    Flavor
    Sweet 61.01%
    Green 60.06%
    Bitter 56.63%
    Floral 51.68%
    Woody 36.68%
    Earthy 32.96%
    Hyacinth 30.64%
    Spicy 29.83%
    Rose 27.61%
    Herbal 26.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.5 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 97.0 ˚C est.

  • Synonyms

    • 2-Benzyl-4-methyl-1,3-dioxolane
    • 5468-05-3
    • 1,3-Dioxolane, 4-methyl-2-(phenylmethyl)-
    • 4-Methyl-2-benzyl-1,3-dioxolane
    • U5F4U3WMGD
    • Phenylacetaldehyde propyleneglycol acetal
    • Phenylacetaldehyde propylene glycol acetal
    • NSC-25477
    • NSC25477
    • UNII-U5F4U3WMGD
    • SCHEMBL6907113
    • FEMA NO. 4629
    • DTXSID70863548
    • HVTGPXYNYDWJHK-UHFFFAOYSA-N
    • 1, 4-methyl-2-(phenylmethyl)-
    • EINECS 226-783-0
    • NSC 25477
    • DB-279056
    • NS00044602
    • Q27290718
    • (+/-)-PHENYLACETALDEHYDE PROPYLENEGLYCOL ACETAL
    • PHENYLACETALDEHYDE PROPYLENEGLYCOL ACETAL, (+/-)-

  • Applications

    2-Benzyl-4-methyl-1,3-dioxolane is primarily used as an organic synthesis intermediate and as a carbonyl-protecting acetal in pharmaceutical manufacturing. It also serves as a building block in fine chemical production for multi-step syntheses. The compound is occasionally evaluated for fragrance and flavor chemistry as a potential precursor to aroma-related materials, and it may find applications in specialty coatings and adhesives or other formulation contexts where protected carbonyl units are desirable. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 774.87
    methanol 788.22
    isopropanol 430.67
    water 6.0
    ethyl acetate 524.48
    n-propanol 523.97
    acetone 276.14
    n-butanol 434.81
    acetonitrile 491.93
    DMF 217.65
    toluene 217.11
    isobutanol 302.46
    1,4-dioxane 1428.68
    methyl acetate 412.35
    THF 591.4
    2-butanone 271.35
    n-pentanol 314.38
    sec-butanol 311.22
    n-hexane 37.48
    ethylene glycol 289.82
    NMP 142.52
    cyclohexane 90.42
    DMSO 440.55
    n-butyl acetate 212.8
    n-octanol 118.31
    chloroform 1761.34
    n-propyl acetate 205.19
    acetic acid 544.14
    dichloromethane 1365.62
    cyclohexanone 313.18
    propylene glycol 339.85
    isopropyl acetate 224.65
    DMAc 317.71
    2-ethoxyethanol 590.03
    isopentanol 299.66
    n-heptane 34.63
    ethyl formate 221.1
    1,2-dichloroethane 621.99
    n-hexanol 296.39
    2-methoxyethanol 713.22
    isobutyl acetate 151.35
    tetrachloromethane 151.53
    n-pentyl acetate 105.92
    transcutol 1486.84
    n-heptanol 107.88
    ethylbenzene 98.63
    MIBK 146.29
    2-propoxyethanol 538.36
    tert-butanol 390.55
    MTBE 286.23
    2-butoxyethanol 225.95
    propionic acid 367.23
    o-xylene 122.66
    formic acid 230.86
    diethyl ether 579.71
    m-xylene 127.19
    p-xylene 130.12
    chlorobenzene 266.71
    dimethyl carbonate 146.31
    n-octane 13.47
    formamide 251.64
    cyclopentanone 237.09
    2-pentanone 206.66
    anisole 261.32
    cyclopentyl methyl ether 272.8
    gamma-butyrolactone 331.4
    1-methoxy-2-propanol 472.9
    pyridine 605.0
    3-pentanone 199.15
    furfural 371.96
    n-dodecane 16.34
    diethylene glycol 507.44
    diisopropyl ether 105.49
    tert-amyl alcohol 255.73
    acetylacetone 268.99
    n-hexadecane 18.34
    acetophenone 203.53
    methyl propionate 302.83
    isopentyl acetate 184.5
    trichloroethylene 957.11
    n-nonanol 112.21
    cyclohexanol 296.11
    benzyl alcohol 232.36
    2-ethylhexanol 143.47
    isooctanol 83.23
    dipropyl ether 213.73
    1,2-dichlorobenzene 233.09
    ethyl lactate 133.6
    propylene carbonate 252.46
    n-methylformamide 174.59
    2-pentanol 233.51
    n-pentane 40.74
    1-propoxy-2-propanol 300.34
    1-methoxy-2-propyl acetate 261.2
    2-(2-methoxypropoxy) propanol 248.45
    mesitylene 80.02
    ε-caprolactone 333.44
    p-cymene 65.5
    epichlorohydrin 557.04
    1,1,1-trichloroethane 481.2
    2-aminoethanol 451.39
    morpholine-4-carbaldehyde 417.78
    sulfolane 271.88
    2,2,4-trimethylpentane 22.92
    2-methyltetrahydrofuran 423.02
    n-hexyl acetate 173.53
    isooctane 17.21
    2-(2-butoxyethoxy)ethanol 363.05
    sec-butyl acetate 139.57
    tert-butyl acetate 182.09
    decalin 39.05
    glycerin 369.15
    diglyme 646.27
    acrylic acid 309.72
    isopropyl myristate 84.1
    n-butyric acid 440.9
    acetyl acetate 312.27
    di(2-ethylhexyl) phthalate 90.64
    ethyl propionate 188.13
    nitromethane 520.9
    1,2-diethoxyethane 395.05
    benzonitrile 232.84
    trioctyl phosphate 55.54
    1-bromopropane 360.85
    gamma-valerolactone 416.62
    n-decanol 87.19
    triethyl phosphate 99.18
    4-methyl-2-pentanol 125.59
    propionitrile 320.1
    vinylene carbonate 275.69
    1,1,2-trichlorotrifluoroethane 430.65
    DMS 186.55
    cumene 72.33
    2-octanol 63.48
    2-hexanone 165.25
    octyl acetate 99.78
    limonene 90.13
    1,2-dimethoxyethane 624.65
    ethyl orthosilicate 98.13
    tributyl phosphate 76.58
    diacetone alcohol 201.63
    N,N-dimethylaniline 156.84
    acrylonitrile 322.81
    aniline 301.77
    1,3-propanediol 477.07
    bromobenzene 287.37
    dibromomethane 813.59
    1,1,2,2-tetrachloroethane 845.4
    2-methyl-cyclohexyl acetate 141.39
    tetrabutyl urea 92.03
    diisobutyl methanol 84.38
    2-phenylethanol 195.05
    styrene 143.23
    dioctyl adipate 122.2
    dimethyl sulfate 156.62
    ethyl butyrate 168.2
    methyl lactate 167.4
    butyl lactate 107.96
    diethyl carbonate 139.46
    propanediol butyl ether 229.05
    triethyl orthoformate 139.13
    p-tert-butyltoluene 62.99
    methyl 4-tert-butylbenzoate 157.13
    morpholine 1185.48
    tert-butylamine 247.28
    n-dodecanol 73.02
    dimethoxymethane 346.32
    ethylene carbonate 262.19
    cyrene 180.84
    2-ethoxyethyl acetate 200.65
    2-ethylhexyl acetate 142.74
    1,2,4-trichlorobenzene 267.33
    4-methylpyridine 380.72
    dibutyl ether 155.66
    2,6-dimethyl-4-heptanol 84.38
    DEF 252.65
    dimethyl isosorbide 292.89
    tetrachloroethylene 552.94
    eugenol 167.37
    triacetin 224.38
    span 80 185.99
    1,4-butanediol 246.09
    1,1-dichloroethane 599.09
    2-methyl-1-pentanol 220.57
    methyl formate 140.03
    2-methyl-1-butanol 251.0
    n-decane 24.37
    butyronitrile 301.41
    3,7-dimethyl-1-octanol 119.49
    1-chlorooctane 81.39
    1-chlorotetradecane 41.35
    n-nonane 22.02
    undecane 19.08
    tert-butylcyclohexane 32.92
    cyclooctane 28.98
    cyclopentanol 226.64
    tetrahydropyran 812.71
    tert-amyl methyl ether 184.89
    2,5,8-trioxanonane 468.4
    1-hexene 137.26
    2-isopropoxyethanol 351.11
    2,2,2-trifluoroethanol 201.17
    methyl butyrate 215.82

    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