(3-(1-Methoxy-2-phenylethoxy)-1-propen-1-yl)benzene

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  • Identifiers

    CAS number
    68426-05-1

    Molecular formula
    C18H20O2

    SMILES
    COC(CC1=CC=CC=C1)OCC=CC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Green 80.35%
    Floral 65.72%
    Sweet 59.04%
    Balsamic 56.04%
    Hyacinth 55.45%
    Rose 53.68%
    Spicy 51.09%
    Cinnamon 44.33%
    Leafy 43.11%
    Honey 40.21%

     

    Flavor
    Green 79.08%
    Floral 65.95%
    Bitter 54.48%
    Hyacinth 53.25%
    Sweet 45.63%
    Rose 44.46%
    Honey 37.91%
    Balsam 35.65%
    Leaf 32.57%
    Earthy 31.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.33 (neutral)

    Molecular weight
    268.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 168.81 ˚C est.

  • Synonyms

    • 68426-05-1
    • (3-(1-Methoxy-2-phenylethoxy)-1-propen-1-yl)benzene
    • [3-(1-Methoxy-2-phenylethoxy)-1-propen-1-yl]benzene
    • RefChem:207449
    • Benzene, [3-(1-methoxy-2-phenylethoxy)-1-propen-1-yl]-
    • DTXSID70887385
    • [3-(1-Methoxy-2-phenylethoxy)prop-1-en-1-yl]benzene
    • 68426-05-1

  • Applications

    This compound is primarily used as an intermediate in organic synthesis for fragrance and cosmetic applications, serving as a fragrance ingredient or aroma-chemical precursor. Owing to the allyl ether functionality, it may act as a reactive monomer or a reactive diluent in coatings and UV-curable inks and resins. In polymer and plastics chemistry, it can function as a specialty monomer or crosslinking agent to tailor polymer properties. It may be evaluated as a building block in pharmaceutical and fine-chemical syntheses. In industrial manufacturing, it provides a versatile chemical building block for various synthetic routes under appropriate local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.11
    methanol 94.5
    isopropanol 65.94
    water 0.17
    ethyl acetate 397.85
    n-propanol 98.63
    acetone 164.68
    n-butanol 96.89
    acetonitrile 188.72
    DMF 88.94
    toluene 257.52
    isobutanol 65.62
    1,4-dioxane 645.59
    methyl acetate 240.39
    THF 628.14
    2-butanone 195.6
    n-pentanol 88.2
    sec-butanol 83.8
    n-hexane 28.32
    ethylene glycol 22.98
    NMP 73.09
    cyclohexane 87.8
    DMSO 468.73
    n-butyl acetate 158.08
    n-octanol 31.13
    chloroform 1711.57
    n-propyl acetate 174.24
    acetic acid 163.59
    dichloromethane 2067.32
    cyclohexanone 253.17
    propylene glycol 47.91
    isopropyl acetate 177.65
    DMAc 206.75
    2-ethoxyethanol 179.78
    isopentanol 81.85
    n-heptane 30.36
    ethyl formate 126.93
    1,2-dichloroethane 1235.88
    n-hexanol 82.86
    2-methoxyethanol 174.4
    isobutyl acetate 112.91
    tetrachloromethane 126.33
    n-pentyl acetate 78.47
    transcutol 678.43
    n-heptanol 37.71
    ethylbenzene 111.76
    MIBK 120.67
    2-propoxyethanol 154.13
    tert-butanol 91.79
    MTBE 145.48
    2-butoxyethanol 85.72
    propionic acid 107.81
    o-xylene 113.28
    formic acid 34.67
    diethyl ether 351.99
    m-xylene 118.17
    p-xylene 104.29
    chlorobenzene 279.95
    dimethyl carbonate 119.18
    n-octane 10.72
    formamide 69.33
    cyclopentanone 237.89
    2-pentanone 173.4
    anisole 208.21
    cyclopentyl methyl ether 223.59
    gamma-butyrolactone 324.07
    1-methoxy-2-propanol 136.71
    pyridine 462.96
    3-pentanone 188.6
    furfural 274.03
    n-dodecane 8.01
    diethylene glycol 104.61
    diisopropyl ether 71.31
    tert-amyl alcohol 91.65
    acetylacetone 252.85
    n-hexadecane 9.19
    acetophenone 167.8
    methyl propionate 219.52
    isopentyl acetate 144.7
    trichloroethylene 1462.18
    n-nonanol 34.65
    cyclohexanol 112.07
    benzyl alcohol 120.3
    2-ethylhexanol 67.49
    isooctanol 36.79
    dipropyl ether 179.3
    1,2-dichlorobenzene 244.68
    ethyl lactate 73.12
    propylene carbonate 191.16
    n-methylformamide 62.13
    2-pentanol 70.55
    n-pentane 22.31
    1-propoxy-2-propanol 120.36
    1-methoxy-2-propyl acetate 172.87
    2-(2-methoxypropoxy) propanol 124.18
    mesitylene 72.33
    ε-caprolactone 211.63
    p-cymene 57.56
    epichlorohydrin 734.69
    1,1,1-trichloroethane 618.05
    2-aminoethanol 50.96
    morpholine-4-carbaldehyde 184.7
    sulfolane 320.74
    2,2,4-trimethylpentane 15.42
    2-methyltetrahydrofuran 308.07
    n-hexyl acetate 92.69
    isooctane 10.96
    2-(2-butoxyethoxy)ethanol 158.05
    sec-butyl acetate 124.99
    tert-butyl acetate 158.64
    decalin 34.72
    glycerin 58.48
    diglyme 384.33
    acrylic acid 97.86
    isopropyl myristate 53.17
    n-butyric acid 171.16
    acetyl acetate 230.81
    di(2-ethylhexyl) phthalate 52.24
    ethyl propionate 167.59
    nitromethane 292.34
    1,2-diethoxyethane 274.65
    benzonitrile 144.13
    trioctyl phosphate 31.65
    1-bromopropane 524.56
    gamma-valerolactone 267.9
    n-decanol 28.27
    triethyl phosphate 91.67
    4-methyl-2-pentanol 45.63
    propionitrile 147.25
    vinylene carbonate 196.1
    1,1,2-trichlorotrifluoroethane 328.81
    DMS 130.05
    cumene 68.56
    2-octanol 23.12
    2-hexanone 132.29
    octyl acetate 57.28
    limonene 79.98
    1,2-dimethoxyethane 350.82
    ethyl orthosilicate 89.85
    tributyl phosphate 45.11
    diacetone alcohol 123.8
    N,N-dimethylaniline 123.93
    acrylonitrile 164.62
    aniline 182.33
    1,3-propanediol 73.51
    bromobenzene 346.44
    dibromomethane 1239.75
    1,1,2,2-tetrachloroethane 1299.28
    2-methyl-cyclohexyl acetate 126.11
    tetrabutyl urea 57.24
    diisobutyl methanol 53.25
    2-phenylethanol 103.55
    styrene 147.63
    dioctyl adipate 92.51
    dimethyl sulfate 156.84
    ethyl butyrate 169.06
    methyl lactate 77.27
    butyl lactate 62.5
    diethyl carbonate 136.16
    propanediol butyl ether 64.02
    triethyl orthoformate 129.04
    p-tert-butyltoluene 52.96
    methyl 4-tert-butylbenzoate 125.28
    morpholine 504.49
    tert-butylamine 64.09
    n-dodecanol 24.27
    dimethoxymethane 242.73
    ethylene carbonate 170.99
    cyrene 112.67
    2-ethoxyethyl acetate 143.47
    2-ethylhexyl acetate 115.32
    1,2,4-trichlorobenzene 273.52
    4-methylpyridine 272.8
    dibutyl ether 97.06
    2,6-dimethyl-4-heptanol 53.25
    DEF 179.07
    dimethyl isosorbide 229.95
    tetrachloroethylene 691.4
    eugenol 109.7
    triacetin 150.99
    span 80 88.33
    1,4-butanediol 39.13
    1,1-dichloroethane 735.41
    2-methyl-1-pentanol 84.25
    methyl formate 68.87
    2-methyl-1-butanol 80.2
    n-decane 13.3
    butyronitrile 148.25
    3,7-dimethyl-1-octanol 44.76
    1-chlorooctane 48.99
    1-chlorotetradecane 22.58
    n-nonane 12.78
    undecane 9.71
    tert-butylcyclohexane 25.85
    cyclooctane 26.23
    cyclopentanol 84.02
    tetrahydropyran 546.89
    tert-amyl methyl ether 120.86
    2,5,8-trioxanonane 257.92
    1-hexene 96.15
    2-isopropoxyethanol 125.98
    2,2,2-trifluoroethanol 62.85
    methyl butyrate 183.26

    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