[2-(m-Tolyl)-1,3-dioxolan-4-yl]methanol

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  • Identifiers

    CAS number
    72190-20-6

    Molecular formula
    C11H14O3

    SMILES
    CC1=CC(=CC=C1)C2OCC(O2)CO

  • Odor profile

    Fragrance
    Floral 68.31%
    Fruity 58.92%
    Sweet 50.95%
    Rose 38.99%
    Almond 35.59%
    Honey 32.66%
    Animal 29.28%
    Cherry 28.87%
    Bitter 28.82%
    Green 28.73%

     

    Flavor
    Bitter 60.2%
    Sweet 58.84%
    Woody 36.38%
    Floral 34.73%
    Spicy 28.31%
    Fruity 26.69%
    Naphthalic 23.99%
    Vanilla 22.85%
    Coconut 22.7%
    Powdery 22.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.3 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 144.31 ˚C est.

  • Synonyms

    • [2-(m-tolyl)-1,3-dioxolan-4-yl]methanol
    • [2-(3-Methylphenyl)-1,3-dioxolan-4-yl]methanol
    • CHEBI:173953
    • DTXSID901022690
    • 72190-20-6
    • NS00126655

  • Applications

    For [2-(m-Tolyl)-1,3-dioxolan-4-yl]methanol (CAS 72190-20-6), the 1,3-dioxolane acetal ring provides carbonyl protection and enables selective transformations in synthetic sequences. In industrial settings it is commonly used as a building block for pharmaceuticals and agrochemicals, and as a scaffold for assembling more complex, specialty compounds. It also serves as a precursor in fragrance and flavor chemistry and related cosmetics applications, and can be used as a component in polymers and specialty materials. The terminal CH2OH group offers a handle for further functionalization, supporting R&D and route development. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.29
    methanol 930.39
    isopropanol 267.69
    water 13.08
    ethyl acetate 169.17
    n-propanol 301.92
    acetone 166.51
    n-butanol 269.36
    acetonitrile 188.77
    DMF 257.32
    toluene 55.32
    isobutanol 178.35
    1,4-dioxane 445.15
    methyl acetate 135.82
    THF 348.4
    2-butanone 108.06
    n-pentanol 180.28
    sec-butanol 140.42
    n-hexane 2.43
    ethylene glycol 322.41
    NMP 109.05
    cyclohexane 8.99
    DMSO 412.85
    n-butyl acetate 102.04
    n-octanol 58.89
    chloroform 402.77
    n-propyl acetate 108.2
    acetic acid 577.24
    dichloromethane 370.04
    cyclohexanone 146.64
    propylene glycol 269.47
    isopropyl acetate 89.65
    DMAc 224.5
    2-ethoxyethanol 418.67
    isopentanol 190.89
    n-heptane 5.39
    ethyl formate 186.66
    1,2-dichloroethane 191.23
    n-hexanol 155.54
    2-methoxyethanol 705.63
    isobutyl acetate 81.85
    tetrachloromethane 26.14
    n-pentyl acetate 46.87
    transcutol 659.77
    n-heptanol 66.59
    ethylbenzene 29.41
    MIBK 83.44
    2-propoxyethanol 307.74
    tert-butanol 294.98
    MTBE 101.22
    2-butoxyethanol 159.74
    propionic acid 184.2
    o-xylene 37.82
    formic acid 403.21
    diethyl ether 115.63
    m-xylene 46.92
    p-xylene 38.69
    chlorobenzene 82.26
    dimethyl carbonate 70.31
    n-octane 3.05
    formamide 413.69
    cyclopentanone 146.73
    2-pentanone 106.63
    anisole 103.65
    cyclopentyl methyl ether 105.54
    gamma-butyrolactone 201.05
    1-methoxy-2-propanol 364.95
    pyridine 211.96
    3-pentanone 59.15
    furfural 272.47
    n-dodecane 4.05
    diethylene glycol 374.43
    diisopropyl ether 25.52
    tert-amyl alcohol 147.41
    acetylacetone 131.03
    n-hexadecane 4.42
    acetophenone 99.35
    methyl propionate 101.61
    isopentyl acetate 100.12
    trichloroethylene 363.99
    n-nonanol 54.51
    cyclohexanol 131.74
    benzyl alcohol 132.68
    2-ethylhexanol 73.89
    isooctanol 51.98
    dipropyl ether 59.28
    1,2-dichlorobenzene 77.68
    ethyl lactate 86.95
    propylene carbonate 153.0
    n-methylformamide 228.04
    2-pentanol 119.62
    n-pentane 3.83
    1-propoxy-2-propanol 176.48
    1-methoxy-2-propyl acetate 124.52
    2-(2-methoxypropoxy) propanol 139.74
    mesitylene 29.11
    ε-caprolactone 141.2
    p-cymene 27.19
    epichlorohydrin 296.22
    1,1,1-trichloroethane 102.42
    2-aminoethanol 408.57
    morpholine-4-carbaldehyde 258.89
    sulfolane 186.79
    2,2,4-trimethylpentane 4.91
    2-methyltetrahydrofuran 161.04
    n-hexyl acetate 69.53
    isooctane 4.87
    2-(2-butoxyethoxy)ethanol 201.94
    sec-butyl acetate 66.74
    tert-butyl acetate 88.71
    decalin 6.62
    glycerin 364.51
    diglyme 360.41
    acrylic acid 191.75
    isopropyl myristate 34.62
    n-butyric acid 289.02
    acetyl acetate 107.58
    di(2-ethylhexyl) phthalate 47.68
    ethyl propionate 74.82
    nitromethane 416.98
    1,2-diethoxyethane 138.99
    benzonitrile 109.52
    trioctyl phosphate 32.36
    1-bromopropane 74.88
    gamma-valerolactone 245.13
    n-decanol 42.81
    triethyl phosphate 47.84
    4-methyl-2-pentanol 74.57
    propionitrile 126.51
    vinylene carbonate 164.89
    1,1,2-trichlorotrifluoroethane 287.07
    DMS 63.22
    cumene 25.43
    2-octanol 35.17
    2-hexanone 82.7
    octyl acetate 43.07
    limonene 35.3
    1,2-dimethoxyethane 391.93
    ethyl orthosilicate 48.1
    tributyl phosphate 37.75
    diacetone alcohol 136.1
    N,N-dimethylaniline 68.25
    acrylonitrile 168.34
    aniline 121.76
    1,3-propanediol 489.89
    bromobenzene 73.74
    dibromomethane 185.74
    1,1,2,2-tetrachloroethane 259.34
    2-methyl-cyclohexyl acetate 71.44
    tetrabutyl urea 49.67
    diisobutyl methanol 41.82
    2-phenylethanol 109.5
    styrene 39.38
    dioctyl adipate 59.94
    dimethyl sulfate 83.35
    ethyl butyrate 80.28
    methyl lactate 107.49
    butyl lactate 62.12
    diethyl carbonate 66.47
    propanediol butyl ether 147.19
    triethyl orthoformate 66.57
    p-tert-butyltoluene 26.75
    methyl 4-tert-butylbenzoate 81.6
    morpholine 477.2
    tert-butylamine 129.21
    n-dodecanol 34.79
    dimethoxymethane 244.74
    ethylene carbonate 138.55
    cyrene 123.48
    2-ethoxyethyl acetate 86.15
    2-ethylhexyl acetate 66.71
    1,2,4-trichlorobenzene 92.6
    4-methylpyridine 150.53
    dibutyl ether 44.41
    2,6-dimethyl-4-heptanol 41.82
    DEF 126.77
    dimethyl isosorbide 158.64
    tetrachloroethylene 166.66
    eugenol 98.42
    triacetin 92.86
    span 80 105.15
    1,4-butanediol 210.29
    1,1-dichloroethane 155.39
    2-methyl-1-pentanol 128.09
    methyl formate 188.52
    2-methyl-1-butanol 146.75
    n-decane 5.61
    butyronitrile 164.42
    3,7-dimethyl-1-octanol 59.05
    1-chlorooctane 25.46
    1-chlorotetradecane 12.46
    n-nonane 4.69
    undecane 4.6
    tert-butylcyclohexane 6.29
    cyclooctane 4.13
    cyclopentanol 116.35
    tetrahydropyran 215.5
    tert-amyl methyl ether 67.13
    2,5,8-trioxanonane 245.15
    1-hexene 16.66
    2-isopropoxyethanol 223.45
    2,2,2-trifluoroethanol 182.93
    methyl butyrate 111.21

    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