Phenol, 4-(3,6-dihydro-4-methyl-2H-pyran-2-yl)-2-methoxy-

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  • Identifiers

    CAS number
    128489-02-1

    Molecular formula
    C13H16O3

    SMILES
    CC1=CCOC(C1)C2=CC(=C(C=C2)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.7%
    Vanilla 73.68%
    Spicy 58.95%
    Phenolic 52.26%
    Floral 51.87%
    Creamy 48.24%
    Powdery 45.0%
    Balsamic 39.85%
    Smoky 38.31%
    Clove 35.78%

     

    Flavor
    Sweet 56.96%
    Bitter 47.59%
    Spicy 43.83%
    Woody 42.67%
    Spice 40.11%
    Vanilla 35.79%
    Smoky 34.92%
    Powdery 32.09%
    Floral 31.7%
    Phenolic 29.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.26 (weak base)

    Molecular weight
    220.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 139.1 ˚C est.

  • Synonyms

    • Phenol, 4-(3,6-dihydro-4-methyl-2H-pyran-2-yl)-2-methoxy-
    • DTXSID90888935
    • 128489-02-1
    • RefChem:861219
    • DTXCID101028206
    • SCHEMBL23457746
    • PQXGNHKDFJJCLJ-UHFFFAOYSA-N
    • 2-methoxy-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)phenol
    • 128489-02-1

  • Applications

    Phenol, 4-(3,6-dihydro-4-methyl-2H-pyran-2-yl)-2-methoxy- (CAS number: 128489-02-1) is typically used as an odorant/fragrance ingredient in perfumery and cosmetics, and it is also evaluated as an intermediate in the synthesis of specialty chemicals for industrial manufacturing. It may appear in household products as a fragrance component and can serve as a building block or additive in polymers/plastics formulations to influence scent characteristics. In coatings and inks, it is sometimes employed as a fragrance additive, subject to formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 222.53
    methanol 200.39
    isopropanol 161.14
    water 0.28
    ethyl acetate 481.14
    n-propanol 214.13
    acetone 220.78
    n-butanol 162.52
    acetonitrile 280.22
    DMF 186.49
    toluene 76.47
    isobutanol 106.41
    1,4-dioxane 471.6
    methyl acetate 358.26
    THF 392.93
    2-butanone 250.74
    n-pentanol 79.73
    sec-butanol 131.14
    n-hexane 1.43
    ethylene glycol 85.4
    NMP 75.23
    cyclohexane 7.35
    DMSO 532.73
    n-butyl acetate 123.56
    n-octanol 32.44
    chloroform 521.75
    n-propyl acetate 138.03
    acetic acid 290.47
    dichloromethane 541.04
    cyclohexanone 196.99
    propylene glycol 143.42
    isopropyl acetate 164.6
    DMAc 223.43
    2-ethoxyethanol 287.87
    isopentanol 121.38
    n-heptane 3.04
    ethyl formate 144.16
    1,2-dichloroethane 369.42
    n-hexanol 74.41
    2-methoxyethanol 534.91
    isobutyl acetate 76.14
    tetrachloromethane 36.29
    n-pentyl acetate 58.71
    transcutol 1118.1
    n-heptanol 35.77
    ethylbenzene 34.97
    MIBK 111.75
    2-propoxyethanol 209.17
    tert-butanol 270.33
    MTBE 175.3
    2-butoxyethanol 109.56
    propionic acid 175.85
    o-xylene 48.37
    formic acid 118.66
    diethyl ether 246.79
    m-xylene 55.45
    p-xylene 39.23
    chlorobenzene 98.09
    dimethyl carbonate 130.43
    n-octane 1.87
    formamide 308.16
    cyclopentanone 220.77
    2-pentanone 178.72
    anisole 124.41
    cyclopentyl methyl ether 151.62
    gamma-butyrolactone 285.93
    1-methoxy-2-propanol 332.67
    pyridine 241.08
    3-pentanone 153.43
    furfural 279.7
    n-dodecane 2.29
    diethylene glycol 232.34
    diisopropyl ether 39.66
    tert-amyl alcohol 166.65
    acetylacetone 258.14
    n-hexadecane 2.65
    acetophenone 113.68
    methyl propionate 286.25
    isopentyl acetate 114.05
    trichloroethylene 636.83
    n-nonanol 32.46
    cyclohexanol 108.03
    benzyl alcohol 117.51
    2-ethylhexanol 45.27
    isooctanol 33.77
    dipropyl ether 52.23
    1,2-dichlorobenzene 97.59
    ethyl lactate 79.46
    propylene carbonate 137.57
    n-methylformamide 164.18
    2-pentanol 101.46
    n-pentane 2.24
    1-propoxy-2-propanol 133.17
    1-methoxy-2-propyl acetate 175.34
    2-(2-methoxypropoxy) propanol 146.23
    mesitylene 32.68
    ε-caprolactone 178.76
    p-cymene 27.15
    epichlorohydrin 475.81
    1,1,1-trichloroethane 220.78
    2-aminoethanol 162.58
    morpholine-4-carbaldehyde 278.69
    sulfolane 264.03
    2,2,4-trimethylpentane 3.89
    2-methyltetrahydrofuran 203.35
    n-hexyl acetate 82.47
    isooctane 3.48
    2-(2-butoxyethoxy)ethanol 210.66
    sec-butyl acetate 93.23
    tert-butyl acetate 164.0
    decalin 5.07
    glycerin 215.34
    diglyme 435.11
    acrylic acid 163.24
    isopropyl myristate 36.53
    n-butyric acid 221.97
    acetyl acetate 214.62
    di(2-ethylhexyl) phthalate 41.66
    ethyl propionate 125.42
    nitromethane 572.55
    1,2-diethoxyethane 217.72
    benzonitrile 107.76
    trioctyl phosphate 27.84
    1-bromopropane 111.09
    gamma-valerolactone 307.71
    n-decanol 25.24
    triethyl phosphate 56.59
    4-methyl-2-pentanol 55.56
    propionitrile 173.43
    vinylene carbonate 147.84
    1,1,2-trichlorotrifluoroethane 315.71
    DMS 125.18
    cumene 25.94
    2-octanol 22.68
    2-hexanone 101.32
    octyl acetate 44.75
    limonene 35.37
    1,2-dimethoxyethane 331.17
    ethyl orthosilicate 52.36
    tributyl phosphate 38.94
    diacetone alcohol 198.51
    N,N-dimethylaniline 67.74
    acrylonitrile 229.85
    aniline 149.59
    1,3-propanediol 262.04
    bromobenzene 97.39
    dibromomethane 276.04
    1,1,2,2-tetrachloroethane 437.06
    2-methyl-cyclohexyl acetate 75.09
    tetrabutyl urea 45.0
    diisobutyl methanol 33.63
    2-phenylethanol 91.95
    styrene 44.57
    dioctyl adipate 62.24
    dimethyl sulfate 160.92
    ethyl butyrate 95.49
    methyl lactate 126.74
    butyl lactate 59.09
    diethyl carbonate 80.58
    propanediol butyl ether 112.99
    triethyl orthoformate 72.01
    p-tert-butyltoluene 27.6
    methyl 4-tert-butylbenzoate 92.71
    morpholine 533.75
    tert-butylamine 106.02
    n-dodecanol 20.37
    dimethoxymethane 302.46
    ethylene carbonate 129.12
    cyrene 115.78
    2-ethoxyethyl acetate 144.57
    2-ethylhexyl acetate 81.0
    1,2,4-trichlorobenzene 121.48
    4-methylpyridine 174.66
    dibutyl ether 49.62
    2,6-dimethyl-4-heptanol 33.63
    DEF 151.77
    dimethyl isosorbide 204.58
    tetrachloroethylene 239.4
    eugenol 95.08
    triacetin 132.99
    span 80 87.79
    1,4-butanediol 74.88
    1,1-dichloroethane 265.51
    2-methyl-1-pentanol 74.46
    methyl formate 142.01
    2-methyl-1-butanol 104.31
    n-decane 3.57
    butyronitrile 125.33
    3,7-dimethyl-1-octanol 43.11
    1-chlorooctane 19.85
    1-chlorotetradecane 9.1
    n-nonane 2.89
    undecane 2.75
    tert-butylcyclohexane 4.91
    cyclooctane 2.95
    cyclopentanol 88.36
    tetrahydropyran 281.79
    tert-amyl methyl ether 102.34
    2,5,8-trioxanonane 288.94
    1-hexene 11.47
    2-isopropoxyethanol 171.66
    2,2,2-trifluoroethanol 105.86
    methyl butyrate 132.64

    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