1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-

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  • Identifiers

    CAS number
    72845-85-3

    Molecular formula
    C15H22O2

    SMILES
    CC(C)C1=CC=C(C=C1)CC(C)C2OCCO2

  • Odor profile

    Fragrance
    Green 89.46%
    Floral 73.0%
    Fresh 48.93%
    Earthy 38.36%
    Muguet 37.97%
    Woody 36.29%
    Leafy 35.61%
    Lily 35.55%
    Fruity 34.06%
    Herbal 30.37%

     

    Flavor
    Green 63.2%
    Herbal 44.86%
    Floral 33.4%
    Spice 32.84%
    Earthy 30.86%
    Spicy 28.28%
    Fresh 27.55%
    Herb 26.16%
    Pepper 25.76%
    Tropical 24.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.07 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 125.44 ˚C est.

  • Synonyms

    • 72845-85-3
    • EINECS 276-935-5
    • 1,3-Dioxolane, 2-[1-methyl-2-[4-(1-methylethyl)phenyl]ethyl]-
    • 2-[2-[4-Isopropylphenyl]-1-methylethyl]-1,3-dioxolane
    • DTXSID80888287
    • 1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-
    • 2-(2-(4-Isopropylphenyl)-1-methylethyl)-1,3-dioxolane
    • Cyclamen aldehyde ethylene glycol acetal
    • NIOSH/JH8100000
    • GOWQWVLKPNPEIG-UHFFFAOYSA-N
    • DTXCID501027567
    • JH81000000
    • NS00012147
    • 2-(p-Isopropyl-alpha-methylphenethyl)-1,3-dioxolane
    • 1,3-Dioxolane, 2-(p-isopropyl-alpha-methylphenethyl)-
    • alpha-Methyl-para-isopropylhydrocinnamic aldehyde ethylene glycol acetal
    • 276-935-5

  • Applications

    With the chemical name 1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)- (CAS 72845-85-3), applications are mainly in perfumery and personal care where it is used as an odorant or fragrance ingredient in fragrances, cosmetics, and grooming products. It is also employed as a chemical intermediate in organic synthesis for related aromatic compounds, and may appear in household and cleaning formulations to impart or stabilize a scent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1091.29
    methanol 945.84
    isopropanol 556.77
    water 0.48
    ethyl acetate 1475.56
    n-propanol 712.22
    acetone 562.79
    n-butanol 809.32
    acetonitrile 666.14
    DMF 199.74
    toluene 461.52
    isobutanol 429.95
    1,4-dioxane 1873.99
    methyl acetate 670.81
    THF 1434.74
    2-butanone 568.44
    n-pentanol 528.01
    sec-butanol 380.24
    n-hexane 95.69
    ethylene glycol 71.11
    NMP 166.89
    cyclohexane 170.49
    DMSO 280.57
    n-butyl acetate 907.39
    n-octanol 141.48
    chloroform 2419.16
    n-propyl acetate 662.77
    acetic acid 494.85
    dichloromethane 2526.31
    cyclohexanone 692.29
    propylene glycol 107.81
    isopropyl acetate 839.74
    DMAc 300.67
    2-ethoxyethanol 874.32
    isopentanol 663.0
    n-heptane 68.34
    ethyl formate 458.72
    1,2-dichloroethane 1335.7
    n-hexanol 538.53
    2-methoxyethanol 915.7
    isobutyl acetate 496.77
    tetrachloromethane 312.15
    n-pentyl acetate 321.22
    transcutol 2316.6
    n-heptanol 174.94
    ethylbenzene 206.52
    MIBK 459.86
    2-propoxyethanol 1005.65
    tert-butanol 582.77
    MTBE 982.39
    2-butoxyethanol 363.37
    propionic acid 291.42
    o-xylene 212.22
    formic acid 133.64
    diethyl ether 1837.23
    m-xylene 275.76
    p-xylene 241.78
    chlorobenzene 520.31
    dimethyl carbonate 191.48
    n-octane 26.15
    formamide 181.36
    cyclopentanone 488.06
    2-pentanone 649.69
    anisole 424.88
    cyclopentyl methyl ether 662.36
    gamma-butyrolactone 559.17
    1-methoxy-2-propanol 638.15
    pyridine 729.05
    3-pentanone 454.04
    furfural 519.56
    n-dodecane 20.33
    diethylene glycol 494.1
    diisopropyl ether 385.93
    tert-amyl alcohol 367.93
    acetylacetone 600.22
    n-hexadecane 23.49
    acetophenone 331.64
    methyl propionate 570.73
    isopentyl acetate 785.35
    trichloroethylene 1763.51
    n-nonanol 140.25
    cyclohexanol 444.85
    benzyl alcohol 308.41
    2-ethylhexanol 310.02
    isooctanol 147.86
    dipropyl ether 634.3
    1,2-dichlorobenzene 444.56
    ethyl lactate 182.59
    propylene carbonate 430.57
    n-methylformamide 173.39
    2-pentanol 440.0
    n-pentane 99.12
    1-propoxy-2-propanol 584.08
    1-methoxy-2-propyl acetate 747.59
    2-(2-methoxypropoxy) propanol 330.94
    mesitylene 175.78
    ε-caprolactone 689.7
    p-cymene 142.75
    epichlorohydrin 1228.74
    1,1,1-trichloroethane 978.56
    2-aminoethanol 203.85
    morpholine-4-carbaldehyde 545.21
    sulfolane 361.24
    2,2,4-trimethylpentane 49.01
    2-methyltetrahydrofuran 1022.62
    n-hexyl acetate 373.12
    isooctane 46.51
    2-(2-butoxyethoxy)ethanol 499.34
    sec-butyl acetate 499.37
    tert-butyl acetate 691.39
    decalin 75.09
    glycerin 135.41
    diglyme 1061.39
    acrylic acid 184.88
    isopropyl myristate 161.04
    n-butyric acid 757.97
    acetyl acetate 679.64
    di(2-ethylhexyl) phthalate 130.82
    ethyl propionate 508.52
    nitromethane 548.56
    1,2-diethoxyethane 1206.02
    benzonitrile 356.07
    trioctyl phosphate 87.95
    1-bromopropane 883.77
    gamma-valerolactone 766.88
    n-decanol 100.42
    triethyl phosphate 199.14
    4-methyl-2-pentanol 273.24
    propionitrile 510.63
    vinylene carbonate 408.92
    1,1,2-trichlorotrifluoroethane 503.54
    DMS 308.42
    cumene 144.71
    2-octanol 99.71
    2-hexanone 476.67
    octyl acetate 172.54
    limonene 200.56
    1,2-dimethoxyethane 1308.12
    ethyl orthosilicate 229.78
    tributyl phosphate 126.7
    diacetone alcohol 412.8
    N,N-dimethylaniline 237.23
    acrylonitrile 372.3
    aniline 389.03
    1,3-propanediol 431.48
    bromobenzene 600.61
    dibromomethane 1591.34
    1,1,2,2-tetrachloroethane 1354.68
    2-methyl-cyclohexyl acetate 335.71
    tetrabutyl urea 135.58
    diisobutyl methanol 172.34
    2-phenylethanol 346.93
    styrene 266.27
    dioctyl adipate 213.55
    dimethyl sulfate 160.57
    ethyl butyrate 585.42
    methyl lactate 149.79
    butyl lactate 179.65
    diethyl carbonate 353.95
    propanediol butyl ether 213.49
    triethyl orthoformate 387.84
    p-tert-butyltoluene 138.42
    methyl 4-tert-butylbenzoate 241.84
    morpholine 1615.83
    tert-butylamine 414.1
    n-dodecanol 79.26
    dimethoxymethane 678.26
    ethylene carbonate 432.27
    cyrene 240.12
    2-ethoxyethyl acetate 547.09
    2-ethylhexyl acetate 579.12
    1,2,4-trichlorobenzene 437.29
    4-methylpyridine 652.57
    dibutyl ether 347.17
    2,6-dimethyl-4-heptanol 172.34
    DEF 507.72
    dimethyl isosorbide 511.48
    tetrachloroethylene 901.32
    eugenol 226.1
    triacetin 332.58
    span 80 224.71
    1,4-butanediol 191.71
    1,1-dichloroethane 1194.65
    2-methyl-1-pentanol 433.01
    methyl formate 154.18
    2-methyl-1-butanol 483.75
    n-decane 35.9
    butyronitrile 722.65
    3,7-dimethyl-1-octanol 184.15
    1-chlorooctane 143.94
    1-chlorotetradecane 57.01
    n-nonane 34.36
    undecane 25.61
    tert-butylcyclohexane 68.97
    cyclooctane 61.46
    cyclopentanol 278.71
    tetrahydropyran 1554.4
    tert-amyl methyl ether 527.95
    2,5,8-trioxanonane 618.1
    1-hexene 342.89
    2-isopropoxyethanol 587.93
    2,2,2-trifluoroethanol 149.21
    methyl butyrate 590.88

    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