tetrahydro-4-methyl-2-phenyl-2H-pyran-4-ol

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  • Identifiers

    CAS number
    63500-72-1

    Molecular formula
    C12H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 89.38%
    Sweet 53.16%
    Rose 50.5%
    Herbal 38.45%
    Fresh 37.84%
    Lily 35.27%
    Green 32.43%
    Muguet 32.32%
    Balsamic 31.43%
    Fruity 29.62%

     

    Flavor
    Sweet 73.45%
    Floral 46.79%
    Bitter 46.1%
    Woody 39.67%
    Herbal 33.87%
    Spicy 33.41%
    Earthy 27.21%
    Minty 27.14%
    Powdery 26.29%
    Flower 25.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.57 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 125.1 ˚C est.

  • Synonyms

    • 63500-72-1
    • Tetrahydro-4-methyl-2-phenyl-2H-pyran-4-ol
    • EINECS 264-277-1
    • RefChem:188627
    • 264-277-1
    • 4-methyl-2-phenyloxan-4-ol
    • SCHEMBL156075
    • DTXSID80979725
    • UUQVBQLAIFOJHO-UHFFFAOYSA-N
    • DB-309409
    • 4-methyl-2-phenyl-tetrahydro-2h-pyran-4-ol
    • NS00055761
    • 63500-72-1

  • Applications

    The chemical name tetrahydro-4-methyl-2-phenyl-2H-pyran-4-ol (CAS 63500-72-1) is primarily used as an intermediate and building block in organic synthesis, especially in fragrance and flavor chemistry, where its tetrahydropyran framework and phenyl substituent enable the construction of aroma compounds; it is also commonly evaluated as a precursor for pharmaceutical and fine chemical synthesis, and in cosmetics/personal care it may serve as a fragrance ingredient; in household products and coatings/inks it can be used as a fragrance or aroma additive; in industrial manufacturing it provides a versatile multi-step synthetic intermediate; additionally it can function as a scaffold for aroma-functionalized polymers or material-related intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 381.11
    methanol 444.14
    isopropanol 298.58
    water 5.45
    ethyl acetate 176.32
    n-propanol 320.38
    acetone 232.69
    n-butanol 246.58
    acetonitrile 213.69
    DMF 222.17
    toluene 79.9
    isobutanol 185.8
    1,4-dioxane 541.12
    methyl acetate 211.97
    THF 397.16
    2-butanone 201.33
    n-pentanol 164.13
    sec-butanol 180.15
    n-hexane 11.04
    ethylene glycol 200.44
    NMP 107.3
    cyclohexane 25.66
    DMSO 413.54
    n-butyl acetate 117.61
    n-octanol 95.63
    chloroform 525.15
    n-propyl acetate 103.2
    acetic acid 249.22
    dichloromethane 326.71
    cyclohexanone 208.41
    propylene glycol 323.93
    isopropyl acetate 98.75
    DMAc 257.13
    2-ethoxyethanol 288.58
    isopentanol 178.57
    n-heptane 16.28
    ethyl formate 129.4
    1,2-dichloroethane 183.43
    n-hexanol 210.88
    2-methoxyethanol 462.01
    isobutyl acetate 85.08
    tetrachloromethane 42.56
    n-pentyl acetate 60.57
    transcutol 830.99
    n-heptanol 87.8
    ethylbenzene 42.26
    MIBK 98.32
    2-propoxyethanol 345.3
    tert-butanol 294.62
    MTBE 140.24
    2-butoxyethanol 169.88
    propionic acid 221.71
    o-xylene 53.3
    formic acid 112.15
    diethyl ether 165.03
    m-xylene 61.58
    p-xylene 52.47
    chlorobenzene 99.63
    dimethyl carbonate 77.77
    n-octane 7.09
    formamide 130.52
    cyclopentanone 202.6
    2-pentanone 145.46
    anisole 119.91
    cyclopentyl methyl ether 143.0
    gamma-butyrolactone 217.14
    1-methoxy-2-propanol 347.49
    pyridine 219.84
    3-pentanone 116.62
    furfural 223.19
    n-dodecane 7.99
    diethylene glycol 347.16
    diisopropyl ether 44.66
    tert-amyl alcohol 163.7
    acetylacetone 145.85
    n-hexadecane 8.86
    acetophenone 103.62
    methyl propionate 147.73
    isopentyl acetate 108.33
    trichloroethylene 336.85
    n-nonanol 82.55
    cyclohexanol 154.88
    benzyl alcohol 120.25
    2-ethylhexanol 97.72
    isooctanol 67.26
    dipropyl ether 101.76
    1,2-dichlorobenzene 90.83
    ethyl lactate 90.33
    propylene carbonate 139.8
    n-methylformamide 146.72
    2-pentanol 136.46
    n-pentane 12.34
    1-propoxy-2-propanol 222.44
    1-methoxy-2-propyl acetate 149.48
    2-(2-methoxypropoxy) propanol 172.57
    mesitylene 40.49
    ε-caprolactone 165.58
    p-cymene 37.25
    epichlorohydrin 268.67
    1,1,1-trichloroethane 144.56
    2-aminoethanol 316.28
    morpholine-4-carbaldehyde 257.92
    sulfolane 205.04
    2,2,4-trimethylpentane 9.37
    2-methyltetrahydrofuran 210.2
    n-hexyl acetate 109.48
    isooctane 9.06
    2-(2-butoxyethoxy)ethanol 254.05
    sec-butyl acetate 70.9
    tert-butyl acetate 95.43
    decalin 13.46
    glycerin 349.78
    diglyme 409.05
    acrylic acid 187.25
    isopropyl myristate 51.88
    n-butyric acid 235.44
    acetyl acetate 106.75
    di(2-ethylhexyl) phthalate 61.52
    ethyl propionate 90.61
    nitromethane 280.81
    1,2-diethoxyethane 172.36
    benzonitrile 115.77
    trioctyl phosphate 42.36
    1-bromopropane 104.75
    gamma-valerolactone 271.26
    n-decanol 65.67
    triethyl phosphate 56.79
    4-methyl-2-pentanol 86.68
    propionitrile 180.45
    vinylene carbonate 151.85
    1,1,2-trichlorotrifluoroethane 246.7
    DMS 99.37
    cumene 36.72
    2-octanol 51.66
    2-hexanone 103.02
    octyl acetate 64.05
    limonene 49.67
    1,2-dimethoxyethane 315.0
    ethyl orthosilicate 55.5
    tributyl phosphate 53.14
    diacetone alcohol 145.25
    N,N-dimethylaniline 79.69
    acrylonitrile 192.56
    aniline 125.06
    1,3-propanediol 317.82
    bromobenzene 91.04
    dibromomethane 202.19
    1,1,2,2-tetrachloroethane 296.85
    2-methyl-cyclohexyl acetate 83.33
    tetrabutyl urea 65.48
    diisobutyl methanol 59.76
    2-phenylethanol 117.18
    styrene 51.37
    dioctyl adipate 73.18
    dimethyl sulfate 99.8
    ethyl butyrate 90.63
    methyl lactate 128.91
    butyl lactate 77.8
    diethyl carbonate 71.64
    propanediol butyl ether 190.74
    triethyl orthoformate 74.91
    p-tert-butyltoluene 37.06
    methyl 4-tert-butylbenzoate 102.65
    morpholine 482.15
    tert-butylamine 156.45
    n-dodecanol 54.05
    dimethoxymethane 211.14
    ethylene carbonate 132.1
    cyrene 129.95
    2-ethoxyethyl acetate 105.2
    2-ethylhexyl acetate 81.41
    1,2,4-trichlorobenzene 106.45
    4-methylpyridine 163.02
    dibutyl ether 82.4
    2,6-dimethyl-4-heptanol 59.76
    DEF 133.95
    dimethyl isosorbide 200.27
    tetrachloroethylene 178.91
    eugenol 110.49
    triacetin 131.18
    span 80 140.96
    1,4-butanediol 149.79
    1,1-dichloroethane 183.67
    2-methyl-1-pentanol 119.8
    methyl formate 118.51
    2-methyl-1-butanol 145.32
    n-decane 12.46
    butyronitrile 166.53
    3,7-dimethyl-1-octanol 86.4
    1-chlorooctane 46.04
    1-chlorotetradecane 22.08
    n-nonane 11.49
    undecane 9.51
    tert-butylcyclohexane 13.37
    cyclooctane 9.88
    cyclopentanol 153.16
    tetrahydropyran 323.5
    tert-amyl methyl ether 93.75
    2,5,8-trioxanonane 299.03
    1-hexene 49.74
    2-isopropoxyethanol 189.73
    2,2,2-trifluoroethanol 88.71
    methyl butyrate 109.03

    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