2-Benzyl-1,3-dioxolane

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  • Identifiers

    CAS number
    101-49-5

    Molecular formula
    C10H12O2

    SMILES
    C1COC(O1)CC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 78.98%
    Sweet 77.32%
    Rose 70.7%
    Floral 64.06%
    Honey 57.09%
    Hyacinth 56.39%
    Waxy 42.7%
    Leafy 36.54%
    Fresh 36.47%
    Earthy 35.22%

     

    Flavor
    Sweet 62.15%
    Bitter 55.78%
    Green 55.46%
    Floral 52.86%
    Rose 34.86%
    Hyacinth 33.0%
    Woody 32.55%
    Earthy 30.17%
    Honey 29.71%
    Metallic 27.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.83 (weak acid)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 93.89 ˚C est.

  • Synonyms

    • 2-Benzyl-1,3-dioxolane
    • 101-49-5
    • 1,3-Dioxolane, 2-(phenylmethyl)-
    • 2-Benzyldioxolan
    • Phenylacetaldehyde ethylene acetal
    • Phenylacetaldehyde glycol acetal
    • 1,3-DIOXOLANE, 2-BENZYL-
    • Phenylacetaldehyde ethyleneglycol acetal
    • NSC-25480
    • 1,3-Dioxolane,2-(phenylmethyl)-
    • EINECS 202-946-1
    • NSC 25480
    • benzyldioxolan
    • BRN 0117974
    • Phenylacetaldehyde ethylene glycol acetal
    • AI3-31161
    • MFCD00003215
    • 1, 2-benzyl-
    • 2-Benzyl-[1,3]dioxolane
    • SCHEMBL22722
    • WLN: T5O COTJ B1R
    • 2-phenylmethyl 1,3-dioxolane
    • DTXSID1059230
    • SSZACLYPEFCREM-UHFFFAOYSA-
    • 2-(phenylmethyl)-1,3-dioxolane
    • 7965TJC6L6
    • NSC25480
    • AKOS015839253
    • phenyl acetaldehyde ethylene glycol acetal
    • B1404
    • CS-0325505
    • NS00013133
    • phenylacetaldehyde ethyleneglycol cyclic acetal
    • D88802
    • InChI=1/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2

  • Applications

    2-Benzyl-1,3-dioxolane (CAS 101-49-5) is primarily used as an organic synthetic intermediate. It functions as a protected carbonyl derivative (acetal), enabling selective transformations in multi-step syntheses by temporarily masking aldehyde/ketone functionality. It serves as a building block in pharmaceutical and fine chemical development, and in fragrance and flavor chemistry where the benzyl-dioxolane framework can be elaborated toward aroma- and flavor-related targets. In polymer and coatings chemistry, it can be employed as a protected unit in the preparation of specialty monomers or crosslinkable intermediates. Additionally, it may be encountered as a precursor in routes for agrochemicals or other specialty chemicals, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.75
    methanol 255.77
    isopropanol 132.82
    water 3.69
    ethyl acetate 161.63
    n-propanol 185.88
    acetone 142.34
    n-butanol 125.41
    acetonitrile 212.19
    DMF 208.16
    toluene 82.31
    isobutanol 100.76
    1,4-dioxane 500.79
    methyl acetate 175.81
    THF 261.71
    2-butanone 125.1
    n-pentanol 90.53
    sec-butanol 105.51
    n-hexane 10.88
    ethylene glycol 190.42
    NMP 126.55
    cyclohexane 30.79
    DMSO 415.56
    n-butyl acetate 57.95
    n-octanol 42.07
    chloroform 869.66
    n-propyl acetate 71.44
    acetic acid 250.98
    dichloromethane 693.95
    cyclohexanone 144.54
    propylene glycol 206.43
    isopropyl acetate 66.11
    DMAc 236.32
    2-ethoxyethanol 220.79
    isopentanol 79.85
    n-heptane 13.63
    ethyl formate 93.75
    1,2-dichloroethane 313.76
    n-hexanol 83.4
    2-methoxyethanol 328.11
    isobutyl acetate 52.19
    tetrachloromethane 70.02
    n-pentyl acetate 35.61
    transcutol 507.35
    n-heptanol 38.04
    ethylbenzene 45.32
    MIBK 54.81
    2-propoxyethanol 183.54
    tert-butanol 128.71
    MTBE 75.89
    2-butoxyethanol 90.16
    propionic acid 186.27
    o-xylene 58.08
    formic acid 113.6
    diethyl ether 136.09
    m-xylene 54.91
    p-xylene 59.32
    chlorobenzene 116.03
    dimethyl carbonate 76.96
    n-octane 6.25
    formamide 140.87
    cyclopentanone 154.99
    2-pentanone 83.94
    anisole 120.58
    cyclopentyl methyl ether 103.56
    gamma-butyrolactone 203.06
    1-methoxy-2-propanol 209.76
    pyridine 319.6
    3-pentanone 89.95
    furfural 230.92
    n-dodecane 7.56
    diethylene glycol 221.47
    diisopropyl ether 29.59
    tert-amyl alcohol 83.95
    acetylacetone 116.44
    n-hexadecane 8.4
    acetophenone 103.23
    methyl propionate 143.46
    isopentyl acetate 56.21
    trichloroethylene 510.01
    n-nonanol 41.19
    cyclohexanol 108.0
    benzyl alcohol 108.13
    2-ethylhexanol 47.45
    isooctanol 31.4
    dipropyl ether 72.3
    1,2-dichlorobenzene 108.52
    ethyl lactate 69.26
    propylene carbonate 119.44
    n-methylformamide 133.67
    2-pentanol 66.02
    n-pentane 11.64
    1-propoxy-2-propanol 109.73
    1-methoxy-2-propyl acetate 90.39
    2-(2-methoxypropoxy) propanol 109.68
    mesitylene 35.43
    ε-caprolactone 132.32
    p-cymene 30.96
    epichlorohydrin 275.39
    1,1,1-trichloroethane 225.84
    2-aminoethanol 242.62
    morpholine-4-carbaldehyde 247.76
    sulfolane 209.02
    2,2,4-trimethylpentane 8.63
    2-methyltetrahydrofuran 154.86
    n-hexyl acetate 58.39
    isooctane 6.42
    2-(2-butoxyethoxy)ethanol 147.31
    sec-butyl acetate 49.5
    tert-butyl acetate 62.62
    decalin 16.1
    glycerin 248.94
    diglyme 274.07
    acrylic acid 184.97
    isopropyl myristate 33.92
    n-butyric acid 151.87
    acetyl acetate 107.79
    di(2-ethylhexyl) phthalate 40.3
    ethyl propionate 77.86
    nitromethane 312.57
    1,2-diethoxyethane 110.47
    benzonitrile 104.29
    trioctyl phosphate 26.05
    1-bromopropane 146.2
    gamma-valerolactone 223.46
    n-decanol 33.21
    triethyl phosphate 47.4
    4-methyl-2-pentanol 38.87
    propionitrile 153.92
    vinylene carbonate 139.47
    1,1,2-trichlorotrifluoroethane 256.65
    DMS 80.39
    cumene 34.09
    2-octanol 23.68
    2-hexanone 64.62
    octyl acetate 39.74
    limonene 40.19
    1,2-dimethoxyethane 240.55
    ethyl orthosilicate 43.76
    tributyl phosphate 32.98
    diacetone alcohol 87.46
    N,N-dimethylaniline 83.42
    acrylonitrile 202.77
    aniline 130.42
    1,3-propanediol 191.37
    bromobenzene 123.1
    dibromomethane 396.62
    1,1,2,2-tetrachloroethane 434.52
    2-methyl-cyclohexyl acetate 61.45
    tetrabutyl urea 43.1
    diisobutyl methanol 33.5
    2-phenylethanol 76.68
    styrene 62.72
    dioctyl adipate 54.93
    dimethyl sulfate 114.44
    ethyl butyrate 64.44
    methyl lactate 102.67
    butyl lactate 47.18
    diethyl carbonate 58.57
    propanediol butyl ether 92.93
    triethyl orthoformate 54.77
    p-tert-butyltoluene 30.2
    methyl 4-tert-butylbenzoate 82.32
    morpholine 450.41
    tert-butylamine 79.77
    n-dodecanol 28.82
    dimethoxymethane 177.71
    ethylene carbonate 115.91
    cyrene 99.67
    2-ethoxyethyl acetate 67.02
    2-ethylhexyl acetate 45.12
    1,2,4-trichlorobenzene 132.82
    4-methylpyridine 167.7
    dibutyl ether 50.42
    2,6-dimethyl-4-heptanol 33.5
    DEF 122.76
    dimethyl isosorbide 136.91
    tetrachloroethylene 271.66
    eugenol 85.26
    triacetin 94.34
    span 80 84.34
    1,4-butanediol 97.88
    1,1-dichloroethane 273.43
    2-methyl-1-pentanol 66.18
    methyl formate 97.53
    2-methyl-1-butanol 77.85
    n-decane 10.56
    butyronitrile 106.95
    3,7-dimethyl-1-octanol 42.69
    1-chlorooctane 32.15
    1-chlorotetradecane 18.59
    n-nonane 9.46
    undecane 8.57
    tert-butylcyclohexane 13.37
    cyclooctane 10.9
    cyclopentanol 106.15
    tetrahydropyran 274.6
    tert-amyl methyl ether 58.66
    2,5,8-trioxanonane 211.92
    1-hexene 40.54
    2-isopropoxyethanol 126.46
    2,2,2-trifluoroethanol 106.64
    methyl butyrate 86.45

    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