1-Methoxy-3-phenylpropane

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  • Identifiers

    CAS number
    2046-33-5

    Molecular formula
    C10H14O

    SMILES
    COCCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 82.7%
    Floral 80.91%
    Fruity 66.27%
    Rose 61.63%
    Hyacinth 53.89%
    Earthy 41.64%
    Fresh 38.86%
    Metallic 38.55%
    Sweet 37.14%
    Leafy 35.87%

     

    Flavor
    Floral 63.14%
    Rose 62.65%
    Green 56.45%
    Hyacinth 45.33%
    Spicy 38.75%
    Earthy 37.94%
    Balsam 37.05%
    Sweet 35.83%
    Honey 34.96%
    Fruity 32.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.16 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    210°C

    Flash point

    • 83.73 ˚C est.

  • Synonyms

    • 1-Methoxy-3-phenylpropane
    • 2046-33-5
    • DTXSID60876086
    • 3-methoxypropylbenzene
    • methyl 3-phenylpropyl ether
    • (3-Methoxypropyl)benzene #
    • SCHEMBL90811
    • SCHEMBL2504343
    • DTXCID201014199

  • Applications

    1-Methoxy-3-phenylpropane (CAS 2046-33-5) is used as a solvent or processing medium in industrial manufacturing; serves as an intermediate in the synthesis of aromatic ether compounds and related organics; may act as a fragrance intermediate or odorant carrier in perfumery; can function as a solvent component in coatings, inks, and cleaning formulations; may be evaluated as a processing aid or precursor in polymer and plastics processing; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4712.79
    methanol 3758.07
    isopropanol 2587.1
    water 1.36
    ethyl acetate 5643.1
    n-propanol 3283.53
    acetone 2638.65
    n-butanol 2918.01
    acetonitrile 3601.18
    DMF 1455.46
    toluene 1388.59
    isobutanol 1856.81
    1,4-dioxane 6665.4
    methyl acetate 3154.04
    THF 3309.25
    2-butanone 2409.49
    n-pentanol 1616.33
    sec-butanol 1941.26
    n-hexane 362.44
    ethylene glycol 798.09
    NMP 671.75
    cyclohexane 791.12
    DMSO 2738.36
    n-butyl acetate 2101.05
    n-octanol 279.7
    chloroform 7146.78
    n-propyl acetate 1727.6
    acetic acid 2855.18
    dichloromethane 7383.04
    cyclohexanone 2336.4
    propylene glycol 931.23
    isopropyl acetate 1674.43
    DMAc 951.14
    2-ethoxyethanol 2652.96
    isopentanol 1832.91
    n-heptane 325.12
    ethyl formate 1908.71
    1,2-dichloroethane 5050.55
    n-hexanol 1742.2
    2-methoxyethanol 4106.33
    isobutyl acetate 790.3
    tetrachloromethane 1122.96
    n-pentyl acetate 534.19
    transcutol 5626.95
    n-heptanol 362.68
    ethylbenzene 470.32
    MIBK 816.01
    2-propoxyethanol 2405.59
    tert-butanol 2295.08
    MTBE 2181.22
    2-butoxyethanol 790.34
    propionic acid 1919.12
    o-xylene 523.06
    formic acid 746.62
    diethyl ether 5545.49
    m-xylene 571.81
    p-xylene 462.23
    chlorobenzene 1388.11
    dimethyl carbonate 597.87
    n-octane 64.63
    formamide 1118.07
    cyclopentanone 1653.53
    2-pentanone 2122.67
    anisole 1026.49
    cyclopentyl methyl ether 1927.86
    gamma-butyrolactone 2028.73
    1-methoxy-2-propanol 2014.95
    pyridine 3867.31
    3-pentanone 1656.22
    furfural 1884.65
    n-dodecane 36.61
    diethylene glycol 1733.3
    diisopropyl ether 775.69
    tert-amyl alcohol 1487.3
    acetylacetone 1633.58
    n-hexadecane 42.94
    acetophenone 649.02
    methyl propionate 2405.77
    isopentyl acetate 1273.15
    trichloroethylene 6717.01
    n-nonanol 249.86
    cyclohexanol 1786.74
    benzyl alcohol 814.22
    2-ethylhexanol 877.32
    isooctanol 288.59
    dipropyl ether 1960.03
    1,2-dichlorobenzene 997.96
    ethyl lactate 467.19
    propylene carbonate 1264.02
    n-methylformamide 1353.98
    2-pentanol 1574.64
    n-pentane 452.63
    1-propoxy-2-propanol 1523.23
    1-methoxy-2-propyl acetate 1447.57
    2-(2-methoxypropoxy) propanol 556.19
    mesitylene 305.47
    ε-caprolactone 2141.16
    p-cymene 259.31
    epichlorohydrin 3900.7
    1,1,1-trichloroethane 3507.4
    2-aminoethanol 1629.22
    morpholine-4-carbaldehyde 1864.18
    sulfolane 1570.78
    2,2,4-trimethylpentane 116.42
    2-methyltetrahydrofuran 3102.85
    n-hexyl acetate 617.41
    isooctane 95.35
    2-(2-butoxyethoxy)ethanol 945.67
    sec-butyl acetate 886.75
    tert-butyl acetate 1212.04
    decalin 186.22
    glycerin 904.07
    diglyme 2184.39
    acrylic acid 1301.84
    isopropyl myristate 222.76
    n-butyric acid 2986.72
    acetyl acetate 1840.87
    di(2-ethylhexyl) phthalate 184.4
    ethyl propionate 1415.9
    nitromethane 3628.77
    1,2-diethoxyethane 2636.72
    benzonitrile 951.48
    trioctyl phosphate 127.63
    1-bromopropane 3235.78
    gamma-valerolactone 2537.37
    n-decanol 184.8
    triethyl phosphate 360.21
    4-methyl-2-pentanol 554.28
    propionitrile 2509.67
    vinylene carbonate 1234.97
    1,1,2-trichlorotrifluoroethane 2298.85
    DMS 638.09
    cumene 243.4
    2-octanol 181.45
    2-hexanone 1133.98
    octyl acetate 266.4
    limonene 480.13
    1,2-dimethoxyethane 3116.45
    ethyl orthosilicate 401.68
    tributyl phosphate 200.94
    diacetone alcohol 963.28
    N,N-dimethylaniline 444.97
    acrylonitrile 2409.22
    aniline 1575.81
    1,3-propanediol 2063.23
    bromobenzene 1516.17
    dibromomethane 4859.13
    1,1,2,2-tetrachloroethane 4817.82
    2-methyl-cyclohexyl acetate 540.72
    tetrabutyl urea 227.31
    diisobutyl methanol 426.91
    2-phenylethanol 755.36
    styrene 779.39
    dioctyl adipate 326.97
    dimethyl sulfate 580.55
    ethyl butyrate 1472.38
    methyl lactate 570.25
    butyl lactate 360.5
    diethyl carbonate 831.32
    propanediol butyl ether 477.03
    triethyl orthoformate 826.92
    p-tert-butyltoluene 239.53
    methyl 4-tert-butylbenzoate 358.51
    morpholine 7007.03
    tert-butylamine 1678.33
    n-dodecanol 146.11
    dimethoxymethane 2021.51
    ethylene carbonate 1290.73
    cyrene 381.81
    2-ethoxyethyl acetate 995.93
    2-ethylhexyl acetate 949.61
    1,2,4-trichlorobenzene 1106.27
    4-methylpyridine 2403.39
    dibutyl ether 855.95
    2,6-dimethyl-4-heptanol 426.91
    DEF 2227.94
    dimethyl isosorbide 811.84
    tetrachloroethylene 3415.41
    eugenol 375.35
    triacetin 613.66
    span 80 469.51
    1,4-butanediol 708.11
    1,1-dichloroethane 4201.59
    2-methyl-1-pentanol 1095.36
    methyl formate 996.58
    2-methyl-1-butanol 1706.51
    n-decane 70.27
    butyronitrile 2622.55
    3,7-dimethyl-1-octanol 344.1
    1-chlorooctane 277.58
    1-chlorotetradecane 95.2
    n-nonane 78.02
    undecane 48.19
    tert-butylcyclohexane 145.83
    cyclooctane 210.93
    cyclopentanol 1156.78
    tetrahydropyran 5822.48
    tert-amyl methyl ether 1296.45
    2,5,8-trioxanonane 1166.46
    1-hexene 1368.19
    2-isopropoxyethanol 1403.3
    2,2,2-trifluoroethanol 603.34
    methyl butyrate 1760.45

    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