2-Phenethyldioxolane

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  • Identifiers

    CAS number
    4360-60-5

    Molecular formula
    C11H14O2

    SMILES
    C1COC(O1)CCC2=CC=CC=C2

  • Odor profile

    Sweet 75.44%
    Green 74.71%
    Floral 52.58%
    Rose 49.28%
    Hyacinth 47.71%
    Honey 43.39%
    Earthy 38.5%
    Spicy 36.77%
    Fresh 36.59%
    Fruity 36.37%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point est.
    111.34 ˚C

  • Synonyms

    • 2-Phenethyl-1,3-dioxolane
    • 4360-60-5
    • 2-(2-phenylethyl)-1,3-dioxolane
    • 1,3-Dioxolane, 2-(2-phenylethyl)-
    • 2-Phenethyldioxolane
    • 1,3-Dioxolane, 2-phenethyl-
    • Hydrocinnamaldehyde, cyclic ethylene acetal
    • E894DK6G3L
    • 3-Phenylpropionaldehyde, ethylene acetal
    • Benzenepropanal, cyclic 1,2-ethanediyl acetal
    • EINECS 224-442-0
    • NSC 22573
    • NSC-22573
    • AI3-30675
    • DTXSID6063430
    • 2-(2-PHENYLETHYL)DIOXOLANE
    • 3-PHENYLPROPANAL ETHYLENE ACETAL
    • 1, 2-phenethyl-
    • UNII-E894DK6G3L
    • 1, 2-(2-phenylethyl)-
    • 2-phenethyl-[1,3]dioxolane
    • SCHEMBL7428125
    • DTXCID3040275
    • LEBHHJDUAJKLKG-UHFFFAOYSA-N
    • Benzenepropanal,2-ethanediyl acetal
    • NSC22573
    • AKOS006241276
    • DA-28567
    • NS00031352
    • 224-442-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.67
    methanol 429.84
    isopropanol 126.91
    water 1.22
    ethyl acetate 457.13
    n-propanol 203.93
    acetone 150.96
    n-butanol 165.78
    acetonitrile 322.96
    DMF 128.16
    toluene 211.34
    isobutanol 102.54
    1,4-dioxane 892.96
    methyl acetate 276.61
    THF 496.75
    2-butanone 198.3
    n-pentanol 129.88
    sec-butanol 103.38
    n-hexane 22.05
    ethylene glycol 122.18
    NMP 109.11
    cyclohexane 49.68
    DMSO 363.78
    n-butyl acetate 153.62
    n-octanol 36.32
    chloroform 1459.08
    n-propyl acetate 167.12
    acetic acid 322.9
    dichloromethane 1468.84
    cyclohexanone 228.52
    propylene glycol 109.66
    isopropyl acetate 186.8
    DMAc 222.88
    2-ethoxyethanol 348.63
    isopentanol 124.64
    n-heptane 19.67
    ethyl formate 150.44
    1,2-dichloroethane 733.1
    n-hexanol 101.81
    2-methoxyethanol 414.48
    isobutyl acetate 108.93
    tetrachloromethane 127.72
    n-pentyl acetate 63.86
    transcutol 1067.05
    n-heptanol 37.41
    ethylbenzene 78.29
    MIBK 104.49
    2-propoxyethanol 252.02
    tert-butanol 137.16
    MTBE 161.92
    2-butoxyethanol 108.01
    propionic acid 185.33
    o-xylene 103.43
    formic acid 159.96
    diethyl ether 440.79
    m-xylene 103.23
    p-xylene 88.12
    chlorobenzene 235.5
    dimethyl carbonate 117.29
    n-octane 6.35
    formamide 205.93
    cyclopentanone 205.09
    2-pentanone 157.88
    anisole 205.3
    cyclopentyl methyl ether 213.34
    gamma-butyrolactone 293.17
    1-methoxy-2-propanol 235.94
    pyridine 574.5
    3-pentanone 168.98
    furfural 335.09
    n-dodecane 6.22
    diethylene glycol 253.3
    diisopropyl ether 76.48
    tert-amyl alcohol 101.68
    acetylacetone 238.41
    n-hexadecane 7.23
    acetophenone 160.38
    methyl propionate 229.13
    isopentyl acetate 134.25
    trichloroethylene 1091.32
    n-nonanol 38.91
    cyclohexanol 128.1
    benzyl alcohol 145.67
    2-ethylhexanol 69.96
    isooctanol 33.9
    dipropyl ether 152.06
    1,2-dichlorobenzene 197.87
    ethyl lactate 78.4
    propylene carbonate 185.26
    n-methylformamide 122.57
    2-pentanol 82.01
    n-pentane 21.62
    1-propoxy-2-propanol 156.99
    1-methoxy-2-propyl acetate 201.38
    2-(2-methoxypropoxy) propanol 162.66
    mesitylene 62.75
    ε-caprolactone 238.32
    p-cymene 49.05
    epichlorohydrin 594.33
    1,1,1-trichloroethane 465.32
    2-aminoethanol 181.99
    morpholine-4-carbaldehyde 320.43
    sulfolane 263.07
    2,2,4-trimethylpentane 13.17
    2-methyltetrahydrofuran 320.07
    n-hexyl acetate 87.25
    isooctane 9.85
    2-(2-butoxyethoxy)ethanol 217.08
    sec-butyl acetate 113.72
    tert-butyl acetate 152.63
    decalin 25.26
    glycerin 159.11
    diglyme 443.52
    acrylic acid 181.51
    isopropyl myristate 51.2
    n-butyric acid 240.7
    acetyl acetate 268.26
    di(2-ethylhexyl) phthalate 54.13
    ethyl propionate 165.08
    nitromethane 410.29
    1,2-diethoxyethane 335.45
    benzonitrile 160.01
    trioctyl phosphate 30.04
    1-bromopropane 335.35
    gamma-valerolactone 335.61
    n-decanol 30.98
    triethyl phosphate 83.62
    4-methyl-2-pentanol 54.99
    propionitrile 225.25
    vinylene carbonate 198.85
    1,1,2-trichlorotrifluoroethane 364.47
    DMS 135.26
    cumene 53.49
    2-octanol 20.88
    2-hexanone 122.37
    octyl acetate 53.94
    limonene 65.47
    1,2-dimethoxyethane 454.17
    ethyl orthosilicate 84.78
    tributyl phosphate 47.62
    diacetone alcohol 131.21
    N,N-dimethylaniline 116.27
    acrylonitrile 262.82
    aniline 223.96
    1,3-propanediol 200.47
    bromobenzene 275.3
    dibromomethane 833.76
    1,1,2,2-tetrachloroethane 816.08
    2-methyl-cyclohexyl acetate 106.59
    tetrabutyl urea 56.17
    diisobutyl methanol 49.1
    2-phenylethanol 111.61
    styrene 118.78
    dioctyl adipate 86.62
    dimethyl sulfate 142.62
    ethyl butyrate 146.25
    methyl lactate 96.34
    butyl lactate 57.97
    diethyl carbonate 118.96
    propanediol butyl ether 87.26
    triethyl orthoformate 119.68
    p-tert-butyltoluene 45.54
    methyl 4-tert-butylbenzoate 114.37
    morpholine 734.39
    tert-butylamine 90.52
    n-dodecanol 26.34
    dimethoxymethane 284.97
    ethylene carbonate 183.85
    cyrene 124.96
    2-ethoxyethyl acetate 149.18
    2-ethylhexyl acetate 108.68
    1,2,4-trichlorobenzene 234.83
    4-methylpyridine 293.06
    dibutyl ether 91.83
    2,6-dimethyl-4-heptanol 49.1
    DEF 206.44
    dimethyl isosorbide 225.73
    tetrachloroethylene 543.13
    eugenol 106.47
    triacetin 155.24
    span 80 103.71
    1,4-butanediol 87.21
    1,1-dichloroethane 531.6
    2-methyl-1-pentanol 105.35
    methyl formate 95.57
    2-methyl-1-butanol 106.9
    n-decane 9.83
    butyronitrile 182.58
    3,7-dimethyl-1-octanol 53.23
    1-chlorooctane 38.9
    1-chlorotetradecane 19.8
    n-nonane 8.76
    undecane 7.39
    tert-butylcyclohexane 20.19
    cyclooctane 18.69
    cyclopentanol 104.32
    tetrahydropyran 506.16
    tert-amyl methyl ether 118.02
    2,5,8-trioxanonane 325.32
    1-hexene 81.72
    2-isopropoxyethanol 194.56
    2,2,2-trifluoroethanol 120.54
    methyl butyrate 180.62

    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