Benzene, 1,2-dimethoxy-4-(1Z)-1-propenyl-

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  • Identifiers

    CAS number
    93-16-3

    Molecular formula
    C11H14O2

    SMILES
    CC=CC1=CC(=C(C=C1)OC)OC

  • Odor profile

    Fragrance
    Spicy 83.12%
    Sweet 80.93%
    Floral 74.89%
    Clove 56.98%
    Woody 51.93%
    Balsamic 45.39%
    Warm 43.68%
    Powdery 42.13%
    Anisic 40.68%
    Herbal 40.21%

     

    Flavor
    Bitter 50.8%
    Spicy 47.37%
    Sweet 42.68%
    Floral 42.09%
    Spice 40.45%
    Flower 35.69%
    Balsam 35.37%
    Clove 35.18%
    Anise 34.17%
    Green 31.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.24 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 99.51 ˚C est.

    Solubility expt.

    • Insoluble in glycerine and propylene glycol; soluble in most fixed oils
    • soluble (in ethanol)

  • Synonyms

    • Methyl isoeugenol
    • 93-16-3
    • 1,2-dimethoxy-4-prop-1-enylbenzene
    • Isoeugenyl methyl ether
    • 1,2-Dimethoxy-4-propenylbenzene
    • 4-Prop-1-enylveratrole
    • cis-O-Methylisoeugenol
    • Benzene, 1,2-dimethoxy-4-(1Z)-1-propenyl-
    • SCHEMBL112937
    • 4-cis-Propenylveratrole; cis-Isoeugenol methyl ether;cis-Methylisoeugenol
    • AKOS028109060
    • 1,2-Dimethoxy-4-(1-propenyl)-benzene
    • DB-057376
    • NS00012911

  • Applications

    Methyl isoeugenol (CAS 93-16-3) is an aromatic eugenol derivative extensively used in flavor and fragrance industries: it provides a warm, sweet, slightly spicy nutmeg-clove note to perfumes, soaps, detergents, scented candles and personal-care products; in food technology it serves as a flavoring agent for confectionery, beverages and tobacco; in phytochemical and pharmaceutical research it is a precursor for synthesizing vanillin, isovanillin and other phenylpropenoid derivatives with antimicrobial, antioxidant and analgesic properties; it also functions as an intermediate in the manufacture of semi-synthetic agrochemicals, insect pheromones and alkyd resins, and is evaluated as a low-odor solvent for specialty inks and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 683.13
    methanol 550.35
    isopropanol 573.01
    water 1.21
    ethyl acetate 2177.13
    n-propanol 717.94
    acetone 2875.58
    n-butanol 641.4
    acetonitrile 2456.93
    DMF 2049.27
    toluene 709.85
    isobutanol 572.59
    1,4-dioxane 3070.02
    methyl acetate 2017.76
    THF 2745.69
    2-butanone 1659.97
    n-pentanol 444.96
    sec-butanol 600.51
    n-hexane 225.23
    ethylene glycol 278.87
    NMP 1519.15
    cyclohexane 693.75
    DMSO 2391.19
    n-butyl acetate 1004.0
    n-octanol 238.59
    chloroform 5435.13
    n-propyl acetate 1072.77
    acetic acid 1497.9
    dichloromethane 6126.03
    cyclohexanone 2411.13
    propylene glycol 256.73
    isopropyl acetate 883.15
    DMAc 1001.42
    2-ethoxyethanol 1007.36
    isopentanol 543.04
    n-heptane 148.05
    ethyl formate 1269.09
    1,2-dichloroethane 4585.06
    n-hexanol 483.18
    2-methoxyethanol 1450.32
    isobutyl acetate 504.1
    tetrachloromethane 1176.15
    n-pentyl acetate 495.3
    transcutol 1659.26
    n-heptanol 223.64
    ethylbenzene 389.96
    MIBK 640.25
    2-propoxyethanol 800.73
    tert-butanol 961.96
    MTBE 1208.97
    2-butoxyethanol 409.5
    propionic acid 1052.36
    o-xylene 403.72
    formic acid 383.73
    diethyl ether 2054.17
    m-xylene 456.56
    p-xylene 462.44
    chlorobenzene 1347.0
    dimethyl carbonate 823.64
    n-octane 68.13
    formamide 884.17
    cyclopentanone 2704.09
    2-pentanone 1376.29
    anisole 853.56
    cyclopentyl methyl ether 1453.85
    gamma-butyrolactone 3179.48
    1-methoxy-2-propanol 876.49
    pyridine 2059.0
    3-pentanone 1251.97
    furfural 2139.1
    n-dodecane 45.66
    diethylene glycol 643.03
    diisopropyl ether 460.53
    tert-amyl alcohol 714.79
    acetylacetone 1498.35
    n-hexadecane 54.46
    acetophenone 665.92
    methyl propionate 1558.5
    isopentyl acetate 705.04
    trichloroethylene 6669.56
    n-nonanol 211.4
    cyclohexanol 924.42
    benzyl alcohol 544.03
    2-ethylhexanol 328.67
    isooctanol 193.35
    dipropyl ether 602.41
    1,2-dichlorobenzene 1200.6
    ethyl lactate 365.27
    propylene carbonate 1544.63
    n-methylformamide 1307.33
    2-pentanol 519.79
    n-pentane 226.84
    1-propoxy-2-propanol 511.88
    1-methoxy-2-propyl acetate 676.3
    2-(2-methoxypropoxy) propanol 352.63
    mesitylene 327.44
    ε-caprolactone 1715.71
    p-cymene 223.36
    epichlorohydrin 3681.17
    1,1,1-trichloroethane 3948.31
    2-aminoethanol 387.41
    morpholine-4-carbaldehyde 1542.46
    sulfolane 2898.61
    2,2,4-trimethylpentane 110.22
    2-methyltetrahydrofuran 1979.89
    n-hexyl acetate 643.61
    isooctane 87.87
    2-(2-butoxyethoxy)ethanol 500.44
    sec-butyl acetate 557.72
    tert-butyl acetate 882.53
    decalin 192.82
    glycerin 386.09
    diglyme 1215.23
    acrylic acid 1021.49
    isopropyl myristate 254.77
    n-butyric acid 1271.68
    acetyl acetate 1268.51
    di(2-ethylhexyl) phthalate 188.07
    ethyl propionate 946.48
    nitromethane 3654.84
    1,2-diethoxyethane 859.86
    benzonitrile 851.12
    trioctyl phosphate 160.53
    1-bromopropane 1968.66
    gamma-valerolactone 2374.05
    n-decanol 165.82
    triethyl phosphate 309.89
    4-methyl-2-pentanol 262.9
    propionitrile 1367.63
    vinylene carbonate 1429.19
    1,1,2-trichlorotrifluoroethane 1950.16
    DMS 744.18
    cumene 248.01
    2-octanol 175.33
    2-hexanone 796.17
    octyl acetate 319.41
    limonene 349.37
    1,2-dimethoxyethane 1683.03
    ethyl orthosilicate 292.84
    tributyl phosphate 215.71
    diacetone alcohol 673.1
    N,N-dimethylaniline 428.86
    acrylonitrile 1741.89
    aniline 877.5
    1,3-propanediol 592.46
    bromobenzene 1602.35
    dibromomethane 3967.34
    1,1,2,2-tetrachloroethane 4790.19
    2-methyl-cyclohexyl acetate 436.38
    tetrabutyl urea 254.84
    diisobutyl methanol 205.72
    2-phenylethanol 453.38
    styrene 570.16
    dioctyl adipate 344.55
    dimethyl sulfate 1134.08
    ethyl butyrate 696.17
    methyl lactate 498.48
    butyl lactate 289.24
    diethyl carbonate 522.57
    propanediol butyl ether 320.56
    triethyl orthoformate 428.22
    p-tert-butyltoluene 209.89
    methyl 4-tert-butylbenzoate 430.1
    morpholine 2829.26
    tert-butylamine 605.51
    n-dodecanol 134.78
    dimethoxymethane 1576.19
    ethylene carbonate 1318.75
    cyrene 435.61
    2-ethoxyethyl acetate 646.96
    2-ethylhexyl acetate 611.11
    1,2,4-trichlorobenzene 1289.3
    4-methylpyridine 1464.52
    dibutyl ether 454.69
    2,6-dimethyl-4-heptanol 205.72
    DEF 1381.66
    dimethyl isosorbide 682.26
    tetrachloroethylene 3334.06
    eugenol 371.79
    triacetin 546.82
    span 80 310.35
    1,4-butanediol 269.51
    1,1-dichloroethane 3550.62
    2-methyl-1-pentanol 393.02
    methyl formate 1421.36
    2-methyl-1-butanol 540.16
    n-decane 77.28
    butyronitrile 1193.25
    3,7-dimethyl-1-octanol 230.64
    1-chlorooctane 306.15
    1-chlorotetradecane 121.11
    n-nonane 84.93
    undecane 56.67
    tert-butylcyclohexane 153.88
    cyclooctane 222.99
    cyclopentanol 959.9
    tetrahydropyran 2655.04
    tert-amyl methyl ether 768.33
    2,5,8-trioxanonane 664.64
    1-hexene 476.55
    2-isopropoxyethanol 614.6
    2,2,2-trifluoroethanol 688.03
    methyl butyrate 1172.96

    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