1-Isopropenyl-4-methoxybenzene

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  • Identifiers

    CAS number
    1712-69-2

    Molecular formula
    C10H12O

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

  • Odor profile

    Fragrance
    Herbal 75.33%
    Spicy 63.84%
    Sweet 62.18%
    Phenolic 51.65%
    Woody 44.67%
    Floral 42.81%
    Anisic 40.61%
    Nutty 39.95%
    Musty 39.68%
    Citrus 38.95%

     

    Flavor
    Herbal 50.67%
    Spicy 46.18%
    Phenolic 36.13%
    Woody 33.93%
    Green 33.71%
    Spice 30.54%
    Citrus 30.45%
    Minty 27.6%
    Guaiacol 26.89%
    Sweet 26.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.76 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 83.91 ˚C est.

  • Synonyms

    • 1712-69-2
    • 1-isopropenyl-4-methoxybenzene
    • 1-methoxy-4-(prop-1-en-2-yl)benzene
    • 1-Methoxy-4-(1-propen-2-yl)benzene
    • 1-methoxy-4-prop-1-en-2-ylbenzene
    • Benzene,1-methoxy-4-(1-methylethenyl)-
    • Benzene, 1-methoxy-4-(1-methylethenyl)-
    • Anisole, p-isopropenyl-
    • 1-Isopropenyl-4-methoxy-benzene
    • MFCD09414742
    • 2-(p-Methoxyphenyl)propene
    • NSC-89344
    • p-Isopropenylanisole
    • Pseudoestragole
    • ps-Estragole
    • NSC89344
    • 4-Isopropenylanisole
    • para-isopropenylanisole
    • ghl.PD_Mitscher_leg0.11
    • 2-(4-Methoxyphenyl)propene
    • 2-(p-Methoxyphenyl)propylene
    • 4-Methoxy-alpha-methylstyrene
    • 4-Isopropenyl-1-methoxybenzene
    • SCHEMBL1792104
    • Y9ZZ53S8S5
    • p-Methoxy-.alpha.-methylstyrene
    • 4-Isopropenylphenyl methyl ether
    • 4-Methoxy-.alpha.-methylstyrene
    • DTXSID60293411
    • Styrene, p-methoxy-alpha-methyl-
    • XCTSGGVBLWBSIJ-UHFFFAOYSA-N
    • BAA71269
    • 4-CH3OC6H4C(CH3)=CH2
    • Styrene, p-methoxy-.alpha.-methyl-
    • AC1342
    • NSC 89344
    • 1-Methoxy-4-(1-methylethenyl)benzene
    • AKOS013154145
    • CS-12718
    • SY204715
    • DS-021872
    • CS-0215143
    • EN300-227290

  • Applications

    Chemical name: 1-Isopropenyl-4-methoxybenzene; CAS number: 1712-69-2 is a functional intermediate with broad applicability, commonly evaluated for use as a fragrance component and a precursor in perfumery and air fresheners as well as in cosmetics/personal care to impart aroma; in the polymers/plastics sector it can serve as a monomer or comonomer for specialty resins and plastics; in coatings and inks it is used as a reactive monomer for UV-curable systems to tailor formulation and odor; and in household cleaning products it is employed as a fragrance additive to enhance scent profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 829.01
    methanol 773.36
    isopropanol 469.17
    water 2.32
    ethyl acetate 1735.77
    n-propanol 697.58
    acetone 945.05
    n-butanol 676.0
    acetonitrile 1064.66
    DMF 871.63
    toluene 685.53
    isobutanol 447.54
    1,4-dioxane 3315.9
    methyl acetate 1224.39
    THF 2205.51
    2-butanone 957.92
    n-pentanol 366.35
    sec-butanol 462.27
    n-hexane 86.61
    ethylene glycol 209.49
    NMP 690.64
    cyclohexane 229.91
    DMSO 759.63
    n-butyl acetate 584.04
    n-octanol 105.3
    chloroform 3089.51
    n-propyl acetate 542.57
    acetic acid 958.97
    dichloromethane 3002.96
    cyclohexanone 1057.8
    propylene glycol 198.23
    isopropyl acetate 763.09
    DMAc 879.96
    2-ethoxyethanol 850.45
    isopentanol 542.74
    n-heptane 53.09
    ethyl formate 663.5
    1,2-dichloroethane 2053.7
    n-hexanol 357.56
    2-methoxyethanol 1579.71
    isobutyl acetate 306.7
    tetrachloromethane 439.1
    n-pentyl acetate 218.4
    transcutol 2914.64
    n-heptanol 118.12
    ethylbenzene 227.94
    MIBK 398.06
    2-propoxyethanol 869.95
    tert-butanol 723.19
    MTBE 1145.58
    2-butoxyethanol 327.16
    propionic acid 562.79
    o-xylene 282.85
    formic acid 427.43
    diethyl ether 2087.78
    m-xylene 294.8
    p-xylene 255.8
    chlorobenzene 755.88
    dimethyl carbonate 478.26
    n-octane 15.06
    formamide 771.41
    cyclopentanone 942.35
    2-pentanone 731.52
    anisole 755.96
    cyclopentyl methyl ether 1049.07
    gamma-butyrolactone 1182.19
    1-methoxy-2-propanol 795.41
    pyridine 1847.65
    3-pentanone 720.89
    furfural 1174.9
    n-dodecane 11.71
    diethylene glycol 685.75
    diisopropyl ether 366.97
    tert-amyl alcohol 578.76
    acetylacetone 915.19
    n-hexadecane 13.93
    acetophenone 437.76
    methyl propionate 958.94
    isopentyl acetate 515.52
    trichloroethylene 3451.62
    n-nonanol 107.45
    cyclohexanol 530.24
    benzyl alcohol 389.85
    2-ethylhexanol 211.21
    isooctanol 101.35
    dipropyl ether 452.21
    1,2-dichlorobenzene 657.25
    ethyl lactate 191.39
    propylene carbonate 656.53
    n-methylformamide 598.73
    2-pentanol 385.86
    n-pentane 102.76
    1-propoxy-2-propanol 448.79
    1-methoxy-2-propyl acetate 729.43
    2-(2-methoxypropoxy) propanol 401.06
    mesitylene 175.64
    ε-caprolactone 959.05
    p-cymene 112.71
    epichlorohydrin 2303.37
    1,1,1-trichloroethane 1689.35
    2-aminoethanol 411.13
    morpholine-4-carbaldehyde 1456.83
    sulfolane 913.47
    2,2,4-trimethylpentane 52.86
    2-methyltetrahydrofuran 1714.67
    n-hexyl acetate 322.25
    isooctane 38.97
    2-(2-butoxyethoxy)ethanol 566.68
    sec-butyl acetate 408.64
    tert-butyl acetate 808.46
    decalin 77.56
    glycerin 361.85
    diglyme 1399.09
    acrylic acid 527.45
    isopropyl myristate 136.05
    n-butyric acid 838.63
    acetyl acetate 1047.31
    di(2-ethylhexyl) phthalate 129.87
    ethyl propionate 582.38
    nitromethane 1783.85
    1,2-diethoxyethane 1105.68
    benzonitrile 432.83
    trioctyl phosphate 74.69
    1-bromopropane 948.1
    gamma-valerolactone 1504.6
    n-decanol 77.13
    triethyl phosphate 230.79
    4-methyl-2-pentanol 198.43
    propionitrile 725.22
    vinylene carbonate 704.77
    1,1,2-trichlorotrifluoroethane 1134.36
    DMS 491.97
    cumene 131.62
    2-octanol 66.63
    2-hexanone 410.43
    octyl acetate 158.18
    limonene 186.07
    1,2-dimethoxyethane 1534.28
    ethyl orthosilicate 243.04
    tributyl phosphate 123.11
    diacetone alcohol 545.83
    N,N-dimethylaniline 329.14
    acrylonitrile 771.12
    aniline 730.87
    1,3-propanediol 645.5
    bromobenzene 847.49
    dibromomethane 1649.86
    1,1,2,2-tetrachloroethane 2447.88
    2-methyl-cyclohexyl acetate 319.65
    tetrabutyl urea 135.65
    diisobutyl methanol 128.95
    2-phenylethanol 366.53
    styrene 361.22
    dioctyl adipate 226.41
    dimethyl sulfate 515.39
    ethyl butyrate 484.21
    methyl lactate 295.27
    butyl lactate 148.67
    diethyl carbonate 388.08
    propanediol butyl ether 207.6
    triethyl orthoformate 382.05
    p-tert-butyltoluene 118.12
    methyl 4-tert-butylbenzoate 291.67
    morpholine 2944.08
    tert-butylamine 500.29
    n-dodecanol 59.72
    dimethoxymethane 1282.44
    ethylene carbonate 650.1
    cyrene 317.6
    2-ethoxyethyl acetate 514.34
    2-ethylhexyl acetate 409.43
    1,2,4-trichlorobenzene 794.72
    4-methylpyridine 1176.2
    dibutyl ether 270.77
    2,6-dimethyl-4-heptanol 128.95
    DEF 930.83
    dimethyl isosorbide 721.94
    tetrachloroethylene 1652.77
    eugenol 276.5
    triacetin 392.79
    span 80 269.32
    1,4-butanediol 170.87
    1,1-dichloroethane 1577.31
    2-methyl-1-pentanol 359.66
    methyl formate 496.68
    2-methyl-1-butanol 503.67
    n-decane 20.26
    butyronitrile 663.12
    3,7-dimethyl-1-octanol 141.2
    1-chlorooctane 106.37
    1-chlorotetradecane 44.35
    n-nonane 18.05
    undecane 14.5
    tert-butylcyclohexane 66.32
    cyclooctane 65.26
    cyclopentanol 428.38
    tetrahydropyran 2263.65
    tert-amyl methyl ether 711.99
    2,5,8-trioxanonane 828.64
    1-hexene 267.83
    2-isopropoxyethanol 514.77
    2,2,2-trifluoroethanol 353.13
    methyl butyrate 598.07

    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