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

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  • Identifiers

    CAS number
    7784-67-0

    Molecular formula
    C12H16O2

    SMILES
    CCOC1=C(C=C(C=C1)C=CC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 85.39%
    Sweet 76.83%
    Floral 70.22%
    Clove 58.53%
    Balsamic 51.48%
    Woody 47.28%
    Vanilla 46.34%
    Warm 45.57%
    Powdery 42.62%
    Anisic 38.44%

     

    Flavor
    Bitter 51.1%
    Floral 45.53%
    Spicy 45.5%
    Sweet 43.25%
    Spice 38.57%
    Balsam 38.12%
    Flower 35.17%
    Anise 33.56%
    Clove 32.5%
    Green 31.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.63 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 103.38 ˚C est.

    Solubility expt.

    • Almost insoluble in water, miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • 7784-67-0
    • Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-
    • 1-ethoxy-2-methoxy-4-prop-1-enylbenzene
    • DTXSID60864125
    • Benzene, 1-ethoxy-2-methoxy-4-(1-propenyl)-
    • SCHEMBL356256
    • DTXCID90812674
    • AOSKXPFBGRLCEG-UHFFFAOYSA-N
    • 1-(4'-ethoxy-3'-methoxyphenyl)propene
    • DB-285260
    • NS00044220

  • Applications

    Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)- (CAS 7784-67-0) is commonly used as an intermediate and fragrance-related compound with real-world applications including as an odorant and fixative in perfumery, as a synthesis intermediate for aroma chemicals, as a solvent or co-solvent in coatings, inks and cleaning formulations, and as a precursor for specialty polymers or plasticizers in polymer manufacturing; it may also serve as a fragrance component in cosmetics/personal care formulations, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 898.97
    methanol 809.17
    isopropanol 623.71
    water 0.62
    ethyl acetate 1922.65
    n-propanol 775.23
    acetone 2440.13
    n-butanol 791.04
    acetonitrile 1795.22
    DMF 1849.64
    toluene 794.38
    isobutanol 619.27
    1,4-dioxane 2485.0
    methyl acetate 1682.5
    THF 2240.4
    2-butanone 1371.95
    n-pentanol 586.82
    sec-butanol 644.35
    n-hexane 285.72
    ethylene glycol 292.81
    NMP 1432.96
    cyclohexane 760.02
    DMSO 2354.69
    n-butyl acetate 1188.49
    n-octanol 328.96
    chloroform 5375.29
    n-propyl acetate 1012.9
    acetic acid 1410.51
    dichloromethane 6347.01
    cyclohexanone 2100.38
    propylene glycol 301.32
    isopropyl acetate 820.06
    DMAc 1092.31
    2-ethoxyethanol 915.81
    isopentanol 637.3
    n-heptane 193.74
    ethyl formate 1155.89
    1,2-dichloroethane 4528.09
    n-hexanol 679.9
    2-methoxyethanol 1345.92
    isobutyl acetate 530.23
    tetrachloromethane 1070.8
    n-pentyl acetate 563.93
    transcutol 1837.98
    n-heptanol 285.9
    ethylbenzene 438.63
    MIBK 599.49
    2-propoxyethanol 910.75
    tert-butanol 954.42
    MTBE 1132.96
    2-butoxyethanol 471.07
    propionic acid 913.6
    o-xylene 437.42
    formic acid 314.89
    diethyl ether 1773.74
    m-xylene 489.7
    p-xylene 507.11
    chlorobenzene 1460.28
    dimethyl carbonate 686.08
    n-octane 87.16
    formamide 634.09
    cyclopentanone 2116.31
    2-pentanone 1222.22
    anisole 828.65
    cyclopentyl methyl ether 1277.84
    gamma-butyrolactone 2223.47
    1-methoxy-2-propanol 902.33
    pyridine 1980.32
    3-pentanone 1040.41
    furfural 1810.18
    n-dodecane 64.32
    diethylene glycol 704.56
    diisopropyl ether 413.86
    tert-amyl alcohol 727.53
    acetylacetone 1326.85
    n-hexadecane 75.08
    acetophenone 685.83
    methyl propionate 1322.32
    isopentyl acetate 806.75
    trichloroethylene 6297.04
    n-nonanol 285.17
    cyclohexanol 1043.68
    benzyl alcohol 619.93
    2-ethylhexanol 443.12
    isooctanol 242.32
    dipropyl ether 668.66
    1,2-dichlorobenzene 1244.81
    ethyl lactate 375.21
    propylene carbonate 1370.07
    n-methylformamide 999.88
    2-pentanol 555.62
    n-pentane 265.13
    1-propoxy-2-propanol 615.46
    1-methoxy-2-propyl acetate 729.81
    2-(2-methoxypropoxy) propanol 424.86
    mesitylene 333.69
    ε-caprolactone 1523.73
    p-cymene 268.06
    epichlorohydrin 2951.54
    1,1,1-trichloroethane 3434.99
    2-aminoethanol 428.63
    morpholine-4-carbaldehyde 1451.4
    sulfolane 2403.99
    2,2,4-trimethylpentane 122.61
    2-methyltetrahydrofuran 1671.13
    n-hexyl acetate 765.95
    isooctane 91.5
    2-(2-butoxyethoxy)ethanol 615.01
    sec-butyl acetate 540.52
    tert-butyl acetate 756.75
    decalin 229.06
    glycerin 418.05
    diglyme 1324.57
    acrylic acid 849.87
    isopropyl myristate 308.14
    n-butyric acid 1245.06
    acetyl acetate 1166.3
    di(2-ethylhexyl) phthalate 245.37
    ethyl propionate 850.5
    nitromethane 2506.56
    1,2-diethoxyethane 1050.05
    benzonitrile 913.83
    trioctyl phosphate 205.48
    1-bromopropane 2177.63
    gamma-valerolactone 1864.77
    n-decanol 223.22
    triethyl phosphate 336.04
    4-methyl-2-pentanol 280.71
    propionitrile 1192.47
    vinylene carbonate 1251.12
    1,1,2-trichlorotrifluoroethane 1700.32
    DMS 733.98
    cumene 279.15
    2-octanol 223.1
    2-hexanone 777.81
    octyl acetate 395.21
    limonene 420.26
    1,2-dimethoxyethane 1590.83
    ethyl orthosilicate 331.06
    tributyl phosphate 275.64
    diacetone alcohol 628.95
    N,N-dimethylaniline 468.08
    acrylonitrile 1378.95
    aniline 896.8
    1,3-propanediol 625.17
    bromobenzene 1789.34
    dibromomethane 4117.01
    1,1,2,2-tetrachloroethane 4808.95
    2-methyl-cyclohexyl acetate 485.53
    tetrabutyl urea 327.96
    diisobutyl methanol 239.47
    2-phenylethanol 552.83
    styrene 650.0
    dioctyl adipate 425.3
    dimethyl sulfate 917.7
    ethyl butyrate 790.23
    methyl lactate 465.53
    butyl lactate 356.89
    diethyl carbonate 588.36
    propanediol butyl ether 399.16
    triethyl orthoformate 473.45
    p-tert-butyltoluene 254.63
    methyl 4-tert-butylbenzoate 460.64
    morpholine 2427.22
    tert-butylamine 650.91
    n-dodecanol 184.59
    dimethoxymethane 1484.03
    ethylene carbonate 1145.07
    cyrene 462.76
    2-ethoxyethyl acetate 700.66
    2-ethylhexyl acetate 679.9
    1,2,4-trichlorobenzene 1386.92
    4-methylpyridine 1556.59
    dibutyl ether 580.22
    2,6-dimethyl-4-heptanol 239.47
    DEF 1339.35
    dimethyl isosorbide 726.32
    tetrachloroethylene 3127.58
    eugenol 433.83
    triacetin 623.95
    span 80 394.85
    1,4-butanediol 319.46
    1,1-dichloroethane 3533.4
    2-methyl-1-pentanol 510.26
    methyl formate 1087.32
    2-methyl-1-butanol 648.52
    n-decane 104.15
    butyronitrile 1170.97
    3,7-dimethyl-1-octanol 306.49
    1-chlorooctane 395.27
    1-chlorotetradecane 161.76
    n-nonane 114.09
    undecane 78.15
    tert-butylcyclohexane 177.18
    cyclooctane 228.1
    cyclopentanol 898.85
    tetrahydropyran 2420.03
    tert-amyl methyl ether 695.41
    2,5,8-trioxanonane 781.37
    1-hexene 618.11
    2-isopropoxyethanol 637.99
    2,2,2-trifluoroethanol 477.06
    methyl butyrate 1114.83

    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