5-Ethenyl-2-methoxyphenol

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  • Identifiers

    CAS number
    621-58-9

    Molecular formula
    C9H10O2

    SMILES
    COC1=C(C=C(C=C1)C=C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 78.16%
    Sweet 77.92%
    Phenolic 69.32%
    Woody 62.86%
    Smoky 54.26%
    Clove 52.52%
    Vanilla 49.98%
    Medicinal 44.64%
    Floral 39.5%
    Warm 37.69%

     

    Flavor
    Spicy 54.6%
    Sweet 54.46%
    Woody 51.09%
    Clove 42.31%
    Spice 41.03%
    Floral 38.84%
    Phenolic 38.72%
    Vanilla 35.03%
    Bitter 32.59%
    Smoky 31.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.8 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 104.79 ˚C est.

  • Synonyms

    • 5-ethenyl-2-methoxyphenol
    • 621-58-9
    • RefChem:535402
    • 863-888-6
    • 2-methoxy-5-vinylphenol
    • 5-Vinylguaiacol
    • SCHEMBL54200
    • Phenol, 2-methoxy-5-vinyl-
    • FV66Z7S5H6
    • Phenol, 5-ethenyl-2-methoxy-
    • SCHEMBL6070426
    • SCHEMBL29378195
    • DTXSID101376788
    • AAA62158
    • AKOS034086728
    • EN300-155144
    • Z1513804703
    • 621-58-9

  • Applications

    5-Ethenyl-2-methoxyphenol (CAS 621-58-9) is used as an aroma-active ingredient in perfumery and flavor applications, and as a fragrance component or additive in cosmetics and personal care products; it may be employed in household products (air fresheners, cleaners) for its characteristic odor; it also serves as an intermediate in the synthesis of other guaiacyl aroma compounds; in polymer formulations and coatings, the vinyl group allows it to act as a reactive monomer or functional additive, with the phenolic moiety contributing antioxidant/stabilizing potential; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 254.58
    methanol 332.72
    isopropanol 138.03
    water 0.85
    ethyl acetate 343.68
    n-propanol 217.88
    acetone 204.48
    n-butanol 167.57
    acetonitrile 244.61
    DMF 249.29
    toluene 60.78
    isobutanol 121.2
    1,4-dioxane 782.24
    methyl acetate 304.72
    THF 604.28
    2-butanone 206.49
    n-pentanol 112.18
    sec-butanol 138.34
    n-hexane 17.13
    ethylene glycol 89.21
    NMP 132.27
    cyclohexane 43.9
    DMSO 397.27
    n-butyl acetate 156.02
    n-octanol 57.68
    chloroform 329.12
    n-propyl acetate 158.23
    acetic acid 273.71
    dichloromethane 350.15
    cyclohexanone 203.94
    propylene glycol 64.63
    isopropyl acetate 129.22
    DMAc 158.98
    2-ethoxyethanol 255.31
    isopentanol 145.15
    n-heptane 20.34
    ethyl formate 177.72
    1,2-dichloroethane 302.03
    n-hexanol 137.92
    2-methoxyethanol 437.67
    isobutyl acetate 89.23
    tetrachloromethane 60.0
    n-pentyl acetate 72.43
    transcutol 641.21
    n-heptanol 61.61
    ethylbenzene 45.75
    MIBK 106.3
    2-propoxyethanol 244.15
    tert-butanol 316.44
    MTBE 239.11
    2-butoxyethanol 125.66
    propionic acid 177.56
    o-xylene 48.23
    formic acid 127.02
    diethyl ether 399.51
    m-xylene 49.12
    p-xylene 50.14
    chlorobenzene 99.76
    dimethyl carbonate 104.09
    n-octane 9.29
    formamide 258.57
    cyclopentanone 245.16
    2-pentanone 159.07
    anisole 142.08
    cyclopentyl methyl ether 179.05
    gamma-butyrolactone 338.07
    1-methoxy-2-propanol 217.76
    pyridine 239.99
    3-pentanone 140.33
    furfural 284.9
    n-dodecane 8.08
    diethylene glycol 214.55
    diisopropyl ether 70.1
    tert-amyl alcohol 195.08
    acetylacetone 191.0
    n-hexadecane 9.2
    acetophenone 99.37
    methyl propionate 206.84
    isopentyl acetate 129.92
    trichloroethylene 402.76
    n-nonanol 55.61
    cyclohexanol 123.95
    benzyl alcohol 94.1
    2-ethylhexanol 81.98
    isooctanol 52.36
    dipropyl ether 110.17
    1,2-dichlorobenzene 95.53
    ethyl lactate 65.55
    propylene carbonate 160.96
    n-methylformamide 185.76
    2-pentanol 102.31
    n-pentane 20.68
    1-propoxy-2-propanol 134.61
    1-methoxy-2-propyl acetate 146.06
    2-(2-methoxypropoxy) propanol 132.3
    mesitylene 39.18
    ε-caprolactone 197.53
    p-cymene 36.65
    epichlorohydrin 441.88
    1,1,1-trichloroethane 213.25
    2-aminoethanol 140.06
    morpholine-4-carbaldehyde 257.78
    sulfolane 294.27
    2,2,4-trimethylpentane 13.37
    2-methyltetrahydrofuran 318.27
    n-hexyl acetate 103.66
    isooctane 12.65
    2-(2-butoxyethoxy)ethanol 188.66
    sec-butyl acetate 99.52
    tert-butyl acetate 152.96
    decalin 18.34
    glycerin 117.05
    diglyme 363.39
    acrylic acid 149.77
    isopropyl myristate 51.39
    n-butyric acid 206.97
    acetyl acetate 173.04
    di(2-ethylhexyl) phthalate 43.78
    ethyl propionate 143.19
    nitromethane 426.36
    1,2-diethoxyethane 222.61
    benzonitrile 94.48
    trioctyl phosphate 35.46
    1-bromopropane 147.57
    gamma-valerolactone 311.39
    n-decanol 43.86
    triethyl phosphate 63.55
    4-methyl-2-pentanol 64.93
    propionitrile 207.71
    vinylene carbonate 166.61
    1,1,2-trichlorotrifluoroethane 226.75
    DMS 106.98
    cumene 36.34
    2-octanol 40.97
    2-hexanone 122.33
    octyl acetate 57.9
    limonene 52.7
    1,2-dimethoxyethane 434.48
    ethyl orthosilicate 63.81
    tributyl phosphate 42.98
    diacetone alcohol 160.64
    N,N-dimethylaniline 74.06
    acrylonitrile 227.9
    aniline 102.32
    1,3-propanediol 219.06
    bromobenzene 92.55
    dibromomethane 232.39
    1,1,2,2-tetrachloroethane 284.67
    2-methyl-cyclohexyl acetate 87.21
    tetrabutyl urea 52.72
    diisobutyl methanol 55.59
    2-phenylethanol 98.07
    styrene 59.84
    dioctyl adipate 70.72
    dimethyl sulfate 116.97
    ethyl butyrate 115.96
    methyl lactate 83.2
    butyl lactate 56.13
    diethyl carbonate 90.83
    propanediol butyl ether 87.98
    triethyl orthoformate 88.15
    p-tert-butyltoluene 37.37
    methyl 4-tert-butylbenzoate 91.49
    morpholine 653.24
    tert-butylamine 170.49
    n-dodecanol 35.57
    dimethoxymethane 313.75
    ethylene carbonate 150.27
    cyrene 114.28
    2-ethoxyethyl acetate 128.87
    2-ethylhexyl acetate 101.02
    1,2,4-trichlorobenzene 103.25
    4-methylpyridine 134.69
    dibutyl ether 86.31
    2,6-dimethyl-4-heptanol 55.59
    DEF 154.68
    dimethyl isosorbide 204.63
    tetrachloroethylene 212.72
    eugenol 97.95
    triacetin 107.87
    span 80 92.68
    1,4-butanediol 64.82
    1,1-dichloroethane 211.51
    2-methyl-1-pentanol 104.34
    methyl formate 174.41
    2-methyl-1-butanol 123.45
    n-decane 12.81
    butyronitrile 155.38
    3,7-dimethyl-1-octanol 63.66
    1-chlorooctane 43.23
    1-chlorotetradecane 20.65
    n-nonane 12.0
    undecane 9.99
    tert-butylcyclohexane 17.1
    cyclooctane 15.15
    cyclopentanol 128.64
    tetrahydropyran 502.97
    tert-amyl methyl ether 142.87
    2,5,8-trioxanonane 248.27
    1-hexene 55.47
    2-isopropoxyethanol 159.43
    2,2,2-trifluoroethanol 89.93
    methyl butyrate 153.5

    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