4-[5-(4-Methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol

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  • Identifiers

    CAS number
    166762-97-6

    Molecular formula
    C18H16O3

    SMILES
    COC1=CC=C(C=C1)OCC=CC#CC2=CC=C(C=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 73.47%
    Floral 68.83%
    Spicy 61.86%
    Balsamic 40.61%
    Vanilla 38.75%
    Cinnamon 35.97%
    Powdery 35.15%
    Anisic 32.83%
    Warm 29.55%
    Aromatic 26.67%

     

    Flavor
    Bitter 79.61%
    Odorless 20.23%
    Nitrile 20.18%
    Parsley 18.9%
    Lovage 18.73%
    Butyric 18.7%
    Ethyl benzoate 18.65%
    Broom 18.58%
    Heather 18.57%
    Curry 18.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.84 (neutral)

    Molecular weight
    280.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    480°C

    Flash point

    • 209.41 ˚C est.

  • Synonyms

    • 166762-97-6
    • 4-[5-(4-Methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol
    • DTXSID80709009
    • 166762-97-6

  • Applications

    Chemical name: 4-[5-(4-Methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol; CAS number: 166762-97-6. This compound is primarily used as an intermediate in organic synthesis and as a reactive building block for functional materials. In coatings, inks, and adhesives, its phenolic and terminal alkyne functionalities enable crosslinking or post-functionalization via click chemistry, supporting UV-curable and solventborne systems. In polymers and plastics, it may serve as a specialty monomer or end-group modifier to introduce reactive sites for coupling. It is also evaluated as a precursor for dye or pigment chemistry and for surface-modifying agents in electronics-related coatings. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.47
    methanol 70.21
    isopropanol 31.72
    water 0.13
    ethyl acetate 155.64
    n-propanol 43.28
    acetone 29.79
    n-butanol 32.45
    acetonitrile 123.93
    DMF 21.86
    toluene 22.33
    isobutanol 19.82
    1,4-dioxane 212.91
    methyl acetate 120.2
    THF 326.64
    2-butanone 68.28
    n-pentanol 32.52
    sec-butanol 40.72
    n-hexane 3.21
    ethylene glycol 25.32
    NMP 13.83
    cyclohexane 7.03
    DMSO 333.04
    n-butyl acetate 33.64
    n-octanol 9.89
    chloroform 297.41
    n-propyl acetate 51.34
    acetic acid 88.81
    dichloromethane 407.86
    cyclohexanone 38.7
    propylene glycol 40.08
    isopropyl acetate 52.99
    DMAc 94.35
    2-ethoxyethanol 140.32
    isopentanol 23.49
    n-heptane 4.94
    ethyl formate 45.33
    1,2-dichloroethane 197.8
    n-hexanol 18.37
    2-methoxyethanol 143.87
    isobutyl acetate 27.64
    tetrachloromethane 17.39
    n-pentyl acetate 19.14
    transcutol 379.56
    n-heptanol 9.96
    ethylbenzene 14.87
    MIBK 29.57
    2-propoxyethanol 68.71
    tert-butanol 46.02
    MTBE 57.5
    2-butoxyethanol 34.71
    propionic acid 54.82
    o-xylene 14.1
    formic acid 47.6
    diethyl ether 106.35
    m-xylene 10.62
    p-xylene 14.33
    chlorobenzene 29.07
    dimethyl carbonate 47.09
    n-octane 2.11
    formamide 116.17
    cyclopentanone 39.52
    2-pentanone 38.76
    anisole 60.29
    cyclopentyl methyl ether 51.89
    gamma-butyrolactone 72.89
    1-methoxy-2-propanol 89.65
    pyridine 101.6
    3-pentanone 50.63
    furfural 80.1
    n-dodecane 1.92
    diethylene glycol 70.68
    diisopropyl ether 18.5
    tert-amyl alcohol 44.52
    acetylacetone 81.08
    n-hexadecane 2.13
    acetophenone 42.76
    methyl propionate 80.74
    isopentyl acetate 32.49
    trichloroethylene 269.65
    n-nonanol 11.57
    cyclohexanol 24.67
    benzyl alcohol 36.04
    2-ethylhexanol 15.03
    isooctanol 9.83
    dipropyl ether 48.13
    1,2-dichlorobenzene 32.96
    ethyl lactate 31.17
    propylene carbonate 38.07
    n-methylformamide 36.62
    2-pentanol 25.29
    n-pentane 2.64
    1-propoxy-2-propanol 46.77
    1-methoxy-2-propyl acetate 61.15
    2-(2-methoxypropoxy) propanol 67.57
    mesitylene 7.63
    ε-caprolactone 46.32
    p-cymene 9.84
    epichlorohydrin 227.93
    1,1,1-trichloroethane 93.45
    2-aminoethanol 42.0
    morpholine-4-carbaldehyde 76.17
    sulfolane 81.79
    2,2,4-trimethylpentane 2.76
    2-methyltetrahydrofuran 95.8
    n-hexyl acetate 25.54
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 79.37
    sec-butyl acetate 37.94
    tert-butyl acetate 54.17
    decalin 4.24
    glycerin 59.19
    diglyme 201.75
    acrylic acid 49.28
    isopropyl myristate 16.9
    n-butyric acid 54.89
    acetyl acetate 99.91
    di(2-ethylhexyl) phthalate 14.93
    ethyl propionate 57.8
    nitromethane 201.52
    1,2-diethoxyethane 121.68
    benzonitrile 34.02
    trioctyl phosphate 9.76
    1-bromopropane 74.23
    gamma-valerolactone 74.42
    n-decanol 9.69
    triethyl phosphate 33.79
    4-methyl-2-pentanol 13.33
    propionitrile 74.35
    vinylene carbonate 44.64
    1,1,2-trichlorotrifluoroethane 142.06
    DMS 45.57
    cumene 9.9
    2-octanol 6.69
    2-hexanone 37.33
    octyl acetate 17.95
    limonene 13.73
    1,2-dimethoxyethane 194.23
    ethyl orthosilicate 32.81
    tributyl phosphate 16.38
    diacetone alcohol 54.68
    N,N-dimethylaniline 33.42
    acrylonitrile 81.93
    aniline 32.54
    1,3-propanediol 54.24
    bromobenzene 33.58
    dibromomethane 203.89
    1,1,2,2-tetrachloroethane 203.62
    2-methyl-cyclohexyl acetate 35.06
    tetrabutyl urea 19.17
    diisobutyl methanol 13.84
    2-phenylethanol 26.56
    styrene 18.55
    dioctyl adipate 34.14
    dimethyl sulfate 71.14
    ethyl butyrate 47.01
    methyl lactate 41.07
    butyl lactate 19.6
    diethyl carbonate 43.98
    propanediol butyl ether 29.14
    triethyl orthoformate 46.2
    p-tert-butyltoluene 9.36
    methyl 4-tert-butylbenzoate 38.79
    morpholine 192.02
    tert-butylamine 21.79
    n-dodecanol 8.32
    dimethoxymethane 98.87
    ethylene carbonate 38.39
    cyrene 50.57
    2-ethoxyethyl acetate 50.72
    2-ethylhexyl acetate 25.77
    1,2,4-trichlorobenzene 42.93
    4-methylpyridine 36.27
    dibutyl ether 31.61
    2,6-dimethyl-4-heptanol 13.84
    DEF 43.23
    dimethyl isosorbide 106.76
    tetrachloroethylene 107.99
    eugenol 38.57
    triacetin 62.18
    span 80 34.69
    1,4-butanediol 26.59
    1,1-dichloroethane 108.47
    2-methyl-1-pentanol 27.5
    methyl formate 30.63
    2-methyl-1-butanol 23.51
    n-decane 3.11
    butyronitrile 48.84
    3,7-dimethyl-1-octanol 14.2
    1-chlorooctane 10.06
    1-chlorotetradecane 5.29
    n-nonane 2.68
    undecane 2.33
    tert-butylcyclohexane 3.37
    cyclooctane 2.77
    cyclopentanol 24.69
    tetrahydropyran 127.15
    tert-amyl methyl ether 45.6
    2,5,8-trioxanonane 148.91
    1-hexene 12.32
    2-isopropoxyethanol 73.18
    2,2,2-trifluoroethanol 34.69
    methyl butyrate 53.69

    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