2-Methoxy-4-(tetrahydro-4-methylene-2H-pyran-2-yl)phenol

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  • Identifiers

    CAS number
    128489-04-3

    Molecular formula
    C13H16O3

    SMILES
    COC1=C(C=CC(=C1)C2CC(=C)CCO2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 76.99%
    Vanilla 62.77%
    Spicy 54.64%
    Phenolic 49.52%
    Floral 48.49%
    Creamy 42.86%
    Powdery 39.34%
    Woody 34.82%
    Smoky 34.24%
    Hay 32.97%

     

    Flavor
    Sweet 63.3%
    Bitter 49.73%
    Spicy 44.09%
    Woody 42.59%
    Spice 36.01%
    Floral 33.53%
    Vanilla 32.46%
    Powdery 30.56%
    Minty 28.78%
    Coconut 28.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.89 (weak base)

    Molecular weight
    220.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    343°C

    Flash point

    • 135.04 ˚C est.

  • Synonyms

    • UNII-IX7UXC994B
    • IX7UXC994B
    • Phenol, 2-methoxy-4-(tetrahydro-4-methylene-2H-pyran-2-yl)-
    • 2-Methoxy-4-(tetrahydro-4-methylene-2H-pyran-2-yl)phenol
    • 2-Methoxy-4-(4-methylenetetrahydro-2H-pyran-2-yl)phenol
    • DTXSID50888936
    • RefChem:87826
    • DTXCID801028207
    • 128489-04-3
    • SCHEMBL10388770
    • FCOURWMCEWGKGO-UHFFFAOYSA-N
    • 2-methoxy-4-(4-methylideneoxan-2-yl)phenol
    • Q27280937
    • 128489-04-3

  • Applications

    2-Methoxy-4-(tetrahydro-4-methylene-2H-pyran-2-yl)phenol is typically used as a fragrance ingredient and odorant, contributing to scent profiles in perfumery and consumer products. It is commonly evaluated for cosmetics and personal care formulations as an aroma component. It may be employed as a fragrance additive in household products such as cleaners and air fresheners. The compound can serve as an intermediate in fragrance synthesis, enabling the creation of more complex aroma compounds. In polymers and coatings, it may function as a fragrance modifier or odorant to impart scent performance, while usage in any application is subject to regulatory limits and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 506.5
    methanol 532.19
    isopropanol 388.09
    water 0.35
    ethyl acetate 1020.49
    n-propanol 446.32
    acetone 485.47
    n-butanol 328.07
    acetonitrile 641.56
    DMF 391.46
    toluene 98.42
    isobutanol 206.57
    1,4-dioxane 943.37
    methyl acetate 679.58
    THF 905.73
    2-butanone 452.89
    n-pentanol 138.96
    sec-butanol 246.52
    n-hexane 1.14
    ethylene glycol 180.01
    NMP 124.61
    cyclohexane 6.78
    DMSO 1230.36
    n-butyl acetate 207.22
    n-octanol 40.43
    chloroform 830.29
    n-propyl acetate 239.36
    acetic acid 626.87
    dichloromethane 911.07
    cyclohexanone 350.96
    propylene glycol 280.91
    isopropyl acetate 343.39
    DMAc 368.18
    2-ethoxyethanol 550.69
    isopentanol 229.04
    n-heptane 2.66
    ethyl formate 326.62
    1,2-dichloroethane 642.15
    n-hexanol 110.23
    2-methoxyethanol 1183.62
    isobutyl acetate 120.97
    tetrachloromethane 46.89
    n-pentyl acetate 82.05
    transcutol 1917.96
    n-heptanol 44.49
    ethylbenzene 40.29
    MIBK 191.87
    2-propoxyethanol 357.91
    tert-butanol 540.21
    MTBE 298.39
    2-butoxyethanol 154.69
    propionic acid 346.3
    o-xylene 55.42
    formic acid 308.57
    diethyl ether 427.23
    m-xylene 67.37
    p-xylene 44.94
    chlorobenzene 144.91
    dimethyl carbonate 238.96
    n-octane 1.56
    formamide 734.27
    cyclopentanone 451.08
    2-pentanone 358.88
    anisole 179.32
    cyclopentyl methyl ether 264.9
    gamma-butyrolactone 610.33
    1-methoxy-2-propanol 693.3
    pyridine 449.35
    3-pentanone 231.56
    furfural 534.55
    n-dodecane 2.04
    diethylene glycol 411.12
    diisopropyl ether 54.84
    tert-amyl alcohol 289.45
    acetylacetone 531.32
    n-hexadecane 2.41
    acetophenone 157.59
    methyl propionate 527.1
    isopentyl acetate 178.08
    trichloroethylene 1128.07
    n-nonanol 39.63
    cyclohexanol 185.36
    benzyl alcohol 170.17
    2-ethylhexanol 58.33
    isooctanol 42.06
    dipropyl ether 76.0
    1,2-dichlorobenzene 138.08
    ethyl lactate 127.49
    propylene carbonate 281.28
    n-methylformamide 416.88
    2-pentanol 177.93
    n-pentane 2.1
    1-propoxy-2-propanol 221.98
    1-methoxy-2-propyl acetate 300.45
    2-(2-methoxypropoxy) propanol 208.86
    mesitylene 36.72
    ε-caprolactone 315.73
    p-cymene 30.53
    epichlorohydrin 1003.42
    1,1,1-trichloroethane 337.06
    2-aminoethanol 342.68
    morpholine-4-carbaldehyde 455.55
    sulfolane 498.56
    2,2,4-trimethylpentane 3.74
    2-methyltetrahydrofuran 402.04
    n-hexyl acetate 109.44
    isooctane 3.55
    2-(2-butoxyethoxy)ethanol 326.81
    sec-butyl acetate 151.66
    tert-butyl acetate 302.75
    decalin 4.65
    glycerin 408.39
    diglyme 683.31
    acrylic acid 308.35
    isopropyl myristate 46.89
    n-butyric acid 484.14
    acetyl acetate 411.08
    di(2-ethylhexyl) phthalate 52.67
    ethyl propionate 214.16
    nitromethane 1286.4
    1,2-diethoxyethane 344.03
    benzonitrile 170.18
    trioctyl phosphate 34.94
    1-bromopropane 167.76
    gamma-valerolactone 592.15
    n-decanol 31.11
    triethyl phosphate 76.24
    4-methyl-2-pentanol 89.32
    propionitrile 341.09
    vinylene carbonate 280.85
    1,1,2-trichlorotrifluoroethane 566.58
    DMS 179.93
    cumene 29.24
    2-octanol 27.6
    2-hexanone 155.81
    octyl acetate 56.42
    limonene 40.74
    1,2-dimethoxyethane 613.24
    ethyl orthosilicate 69.68
    tributyl phosphate 52.91
    diacetone alcohol 350.96
    N,N-dimethylaniline 85.32
    acrylonitrile 462.12
    aniline 237.23
    1,3-propanediol 585.62
    bromobenzene 137.55
    dibromomethane 431.24
    1,1,2,2-tetrachloroethane 755.02
    2-methyl-cyclohexyl acetate 98.49
    tetrabutyl urea 58.28
    diisobutyl methanol 44.35
    2-phenylethanol 126.94
    styrene 55.1
    dioctyl adipate 83.11
    dimethyl sulfate 284.93
    ethyl butyrate 153.75
    methyl lactate 231.85
    butyl lactate 86.9
    diethyl carbonate 124.32
    propanediol butyl ether 169.3
    triethyl orthoformate 105.59
    p-tert-butyltoluene 31.37
    methyl 4-tert-butylbenzoate 122.94
    morpholine 1108.75
    tert-butylamine 186.15
    n-dodecanol 24.94
    dimethoxymethane 645.72
    ethylene carbonate 252.72
    cyrene 153.26
    2-ethoxyethyl acetate 219.0
    2-ethylhexyl acetate 116.94
    1,2,4-trichlorobenzene 173.96
    4-methylpyridine 298.02
    dibutyl ether 67.55
    2,6-dimethyl-4-heptanol 44.35
    DEF 286.06
    dimethyl isosorbide 300.95
    tetrachloroethylene 400.46
    eugenol 126.19
    triacetin 178.49
    span 80 123.94
    1,4-butanediol 142.22
    1,1-dichloroethane 452.48
    2-methyl-1-pentanol 114.02
    methyl formate 375.49
    2-methyl-1-butanol 179.11
    n-decane 3.14
    butyronitrile 267.74
    3,7-dimethyl-1-octanol 59.06
    1-chlorooctane 22.61
    1-chlorotetradecane 9.73
    n-nonane 2.53
    undecane 2.46
    tert-butylcyclohexane 4.57
    cyclooctane 2.55
    cyclopentanol 171.5
    tetrahydropyran 549.5
    tert-amyl methyl ether 158.11
    2,5,8-trioxanonane 426.69
    1-hexene 12.76
    2-isopropoxyethanol 284.28
    2,2,2-trifluoroethanol 212.89
    methyl butyrate 243.82

    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