Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)-

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  • Identifiers

    CAS number
    68213-85-4

    Molecular formula
    C13H18O3

    SMILES
    CC(OC)OC1=C(C=C(C=C1)CC=C)OC

  • Odor profile

    Fragrance
    Spicy 73.31%
    Sweet 66.4%
    Floral 60.4%
    Woody 52.64%
    Clove 44.71%
    Fresh 44.6%
    Green 41.51%
    Herbal 39.12%
    Warm 38.61%
    Balsamic 32.49%

     

    Flavor
    Sweet 60.26%
    Floral 54.79%
    Spicy 49.07%
    Fruity 46.65%
    Bitter 45.92%
    Green 45.7%
    Spice 43.41%
    Fresh 38.59%
    Clove 36.53%
    Woody 35.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.15 (neutral)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 106.07 ˚C est.

  • Synonyms

    • Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propenyl)-
    • 68213-85-4
    • EINECS 269-268-6
    • Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)-
    • 2-methoxy-1-(1-methoxyethoxy)-4-prop-2-enylbenzene
    • DTXSID50867529
    • 4-Allyl-2,alpha-dimethoxyphenetole
    • WDC6Y5J7N7
    • DTXCID40815711
    • MXSPXFPSWIKNOY-UHFFFAOYSA-N
    • NS00011941
    • 2-Methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)benzene

  • Applications

    Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl) (CAS 68213-85-4) is used primarily as an intermediate in fragrance chemistry, often serving as a component or precursor in perfumery and aroma synthesis; it may also function as a building block in cosmetic/personal care formulations. It is also employed as a structural unit in coatings and inks, and in polymer/plastic systems where the allyl group enables polymerization or crosslinking. Additionally, the compound may act as a precursor for adhesive formulations and other industrial formulas, and can be used as a solvent or solvent-like intermediate in manufacturing processes. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 983.1
    methanol 1019.33
    isopropanol 690.69
    water 1.47
    ethyl acetate 1346.78
    n-propanol 755.3
    acetone 1063.09
    n-butanol 655.22
    acetonitrile 952.61
    DMF 804.82
    toluene 363.53
    isobutanol 524.79
    1,4-dioxane 1644.32
    methyl acetate 987.7
    THF 1198.15
    2-butanone 718.44
    n-pentanol 450.54
    sec-butanol 628.47
    n-hexane 55.99
    ethylene glycol 292.6
    NMP 544.64
    cyclohexane 205.12
    DMSO 1428.96
    n-butyl acetate 575.3
    n-octanol 168.68
    chloroform 2903.54
    n-propyl acetate 564.62
    acetic acid 1256.11
    dichloromethane 2992.62
    cyclohexanone 856.53
    propylene glycol 354.58
    isopropyl acetate 530.68
    DMAc 720.17
    2-ethoxyethanol 892.92
    isopentanol 524.14
    n-heptane 43.53
    ethyl formate 650.96
    1,2-dichloroethane 1834.18
    n-hexanol 420.38
    2-methoxyethanol 1190.52
    isobutyl acetate 316.02
    tetrachloromethane 438.13
    n-pentyl acetate 263.02
    transcutol 1342.79
    n-heptanol 156.73
    ethylbenzene 202.96
    MIBK 309.1
    2-propoxyethanol 627.08
    tert-butanol 1041.18
    MTBE 781.6
    2-butoxyethanol 308.25
    propionic acid 675.92
    o-xylene 228.98
    formic acid 333.34
    diethyl ether 1003.14
    m-xylene 234.29
    p-xylene 266.46
    chlorobenzene 564.62
    dimethyl carbonate 349.38
    n-octane 22.82
    formamide 537.07
    cyclopentanone 794.51
    2-pentanone 580.29
    anisole 453.25
    cyclopentyl methyl ether 596.37
    gamma-butyrolactone 964.2
    1-methoxy-2-propanol 719.3
    pyridine 924.65
    3-pentanone 479.96
    furfural 890.86
    n-dodecane 21.53
    diethylene glycol 551.26
    diisopropyl ether 205.1
    tert-amyl alcohol 769.81
    acetylacetone 728.49
    n-hexadecane 24.67
    acetophenone 391.58
    methyl propionate 735.25
    isopentyl acetate 443.82
    trichloroethylene 2781.96
    n-nonanol 147.74
    cyclohexanol 670.39
    benzyl alcohol 404.65
    2-ethylhexanol 239.57
    isooctanol 131.75
    dipropyl ether 271.53
    1,2-dichlorobenzene 515.81
    ethyl lactate 234.9
    propylene carbonate 644.63
    n-methylformamide 488.44
    2-pentanol 445.64
    n-pentane 59.95
    1-propoxy-2-propanol 377.16
    1-methoxy-2-propyl acetate 426.31
    2-(2-methoxypropoxy) propanol 300.13
    mesitylene 151.17
    ε-caprolactone 780.61
    p-cymene 130.77
    epichlorohydrin 1386.07
    1,1,1-trichloroethane 1478.46
    2-aminoethanol 460.44
    morpholine-4-carbaldehyde 739.6
    sulfolane 988.65
    2,2,4-trimethylpentane 51.0
    2-methyltetrahydrofuran 973.56
    n-hexyl acetate 358.69
    isooctane 32.75
    2-(2-butoxyethoxy)ethanol 417.24
    sec-butyl acetate 351.45
    tert-butyl acetate 473.36
    decalin 78.76
    glycerin 436.17
    diglyme 862.41
    acrylic acid 550.24
    isopropyl myristate 147.32
    n-butyric acid 936.35
    acetyl acetate 811.18
    di(2-ethylhexyl) phthalate 144.73
    ethyl propionate 463.74
    nitromethane 1482.7
    1,2-diethoxyethane 567.57
    benzonitrile 437.9
    trioctyl phosphate 106.33
    1-bromopropane 888.85
    gamma-valerolactone 899.88
    n-decanol 114.19
    triethyl phosphate 196.93
    4-methyl-2-pentanol 204.99
    propionitrile 603.33
    vinylene carbonate 618.79
    1,1,2-trichlorotrifluoroethane 1023.54
    DMS 360.63
    cumene 139.21
    2-octanol 113.94
    2-hexanone 380.13
    octyl acetate 184.96
    limonene 193.66
    1,2-dimethoxyethane 1113.45
    ethyl orthosilicate 187.66
    tributyl phosphate 145.03
    diacetone alcohol 446.26
    N,N-dimethylaniline 257.49
    acrylonitrile 666.08
    aniline 488.96
    1,3-propanediol 668.97
    bromobenzene 654.98
    dibromomethane 1878.63
    1,1,2,2-tetrachloroethane 2299.52
    2-methyl-cyclohexyl acetate 279.47
    tetrabutyl urea 164.78
    diisobutyl methanol 138.79
    2-phenylethanol 340.99
    styrene 284.04
    dioctyl adipate 227.99
    dimethyl sulfate 433.11
    ethyl butyrate 407.56
    methyl lactate 300.55
    butyl lactate 204.1
    diethyl carbonate 325.1
    propanediol butyl ether 275.49
    triethyl orthoformate 259.76
    p-tert-butyltoluene 125.05
    methyl 4-tert-butylbenzoate 279.0
    morpholine 1661.09
    tert-butylamine 554.24
    n-dodecanol 93.79
    dimethoxymethane 792.87
    ethylene carbonate 571.57
    cyrene 315.48
    2-ethoxyethyl acetate 377.68
    2-ethylhexyl acetate 345.56
    1,2,4-trichlorobenzene 587.08
    4-methylpyridine 777.01
    dibutyl ether 246.33
    2,6-dimethyl-4-heptanol 138.79
    DEF 640.22
    dimethyl isosorbide 452.6
    tetrachloroethylene 1424.7
    eugenol 277.49
    triacetin 361.6
    span 80 251.88
    1,4-butanediol 301.38
    1,1-dichloroethane 1555.59
    2-methyl-1-pentanol 417.58
    methyl formate 499.67
    2-methyl-1-butanol 511.2
    n-decane 34.13
    butyronitrile 627.36
    3,7-dimethyl-1-octanol 165.72
    1-chlorooctane 142.52
    1-chlorotetradecane 62.36
    n-nonane 34.02
    undecane 25.7
    tert-butylcyclohexane 64.01
    cyclooctane 50.24
    cyclopentanol 527.91
    tetrahydropyran 1318.12
    tert-amyl methyl ether 480.44
    2,5,8-trioxanonane 558.95
    1-hexene 208.51
    2-isopropoxyethanol 561.67
    2,2,2-trifluoroethanol 387.77
    methyl butyrate 602.83

    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