2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-

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  • Identifiers

    CAS number
    20194-70-1

    Molecular formula
    C9H16O2

    SMILES
    CC1CCOC(C1)CC(=O)C

  • Odor profile

    Fragrance
    Floral 64.07%
    Fruity 62.21%
    Green 60.76%
    Sweet 58.96%
    Herbal 55.5%
    Mint 44.6%
    Fresh 41.02%
    Woody 34.95%
    Ethereal 32.25%
    Musty 31.01%

     

    Flavor
    Sweet 44.19%
    Minty 39.97%
    Herbal 38.21%
    Spicy 35.07%
    Fruity 33.73%
    Green 32.78%
    Caramel 28.6%
    Woody 27.88%
    Musty 27.39%
    Tropical 27.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.57 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 77.23 ˚C est.

  • Synonyms

    • 20194-70-1
    • 2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
    • EINECS 243-577-6
    • 1-(4-methyloxan-2-yl)propan-2-one
    • 4-Methyl-2-(2-propanone)tetrahydropyran
    • DTXSID80864925
    • 1-(Tetrahydro-4-methyl-2H-pyran-2-yl)acetone
    • SCHEMBL874230
    • DTXCID90813388
    • LBOQZBRHNXPXIY-UHFFFAOYSA-N
    • 2-acetonyl-4-methyltetrahydropyran
    • DB-282265
    • NS00050655
    • 1-(4-methyl-tetrahy-dropyran-2-yl)-propan-2-one
    • Q51617515

  • Applications

    2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)- is primarily used in organic synthesis as a ketal (THP) protecting group for carbonyl functionalities, enabling selective transformations by temporarily masking reactive carbonyls. It is commonly used in carbohydrate and glycoside chemistry where tetrahydropyranyl acetals protect aldehyde and ketone groups during multi-step sequences. In pharmaceutical and fine-chemical manufacturing, it serves as an intermediate or a protected-ketone building block that can be deprotected later to unveil the carbonyl, aiding route development and purification. It may also be used in research and development settings as a reagent for protecting-group strategies and as a selective precursor in synthetic workflows subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 710.59
    methanol 1033.12
    isopropanol 534.38
    water 22.36
    ethyl acetate 240.79
    n-propanol 458.99
    acetone 391.64
    n-butanol 385.2
    acetonitrile 478.12
    DMF 445.53
    toluene 122.78
    isobutanol 317.32
    1,4-dioxane 777.68
    methyl acetate 265.95
    THF 700.12
    2-butanone 225.42
    n-pentanol 204.36
    sec-butanol 320.51
    n-hexane 24.26
    ethylene glycol 335.04
    NMP 412.23
    cyclohexane 91.12
    DMSO 509.43
    n-butyl acetate 168.71
    n-octanol 150.77
    chloroform 1434.73
    n-propyl acetate 112.93
    acetic acid 789.77
    dichloromethane 941.35
    cyclohexanone 447.82
    propylene glycol 433.47
    isopropyl acetate 126.51
    DMAc 318.16
    2-ethoxyethanol 273.3
    isopentanol 269.55
    n-heptane 31.21
    ethyl formate 232.0
    1,2-dichloroethane 349.68
    n-hexanol 326.74
    2-methoxyethanol 636.29
    isobutyl acetate 82.84
    tetrachloromethane 178.38
    n-pentyl acetate 101.83
    transcutol 1030.33
    n-heptanol 119.76
    ethylbenzene 60.85
    MIBK 107.23
    2-propoxyethanol 427.46
    tert-butanol 483.19
    MTBE 170.03
    2-butoxyethanol 202.26
    propionic acid 457.67
    o-xylene 101.11
    formic acid 353.65
    diethyl ether 183.02
    m-xylene 101.23
    p-xylene 87.95
    chlorobenzene 216.54
    dimethyl carbonate 80.35
    n-octane 10.48
    formamide 295.21
    cyclopentanone 421.08
    2-pentanone 165.86
    anisole 158.88
    cyclopentyl methyl ether 247.81
    gamma-butyrolactone 516.11
    1-methoxy-2-propanol 436.82
    pyridine 405.79
    3-pentanone 127.04
    furfural 542.63
    n-dodecane 11.96
    diethylene glycol 440.6
    diisopropyl ether 53.07
    tert-amyl alcohol 271.64
    acetylacetone 212.8
    n-hexadecane 13.3
    acetophenone 142.3
    methyl propionate 175.56
    isopentyl acetate 144.49
    trichloroethylene 710.74
    n-nonanol 120.94
    cyclohexanol 403.33
    benzyl alcohol 180.97
    2-ethylhexanol 139.15
    isooctanol 87.03
    dipropyl ether 119.43
    1,2-dichlorobenzene 207.44
    ethyl lactate 105.52
    propylene carbonate 305.04
    n-methylformamide 310.39
    2-pentanol 208.09
    n-pentane 36.22
    1-propoxy-2-propanol 272.67
    1-methoxy-2-propyl acetate 189.62
    2-(2-methoxypropoxy) propanol 237.24
    mesitylene 67.67
    ε-caprolactone 371.63
    p-cymene 64.57
    epichlorohydrin 489.08
    1,1,1-trichloroethane 396.3
    2-aminoethanol 495.99
    morpholine-4-carbaldehyde 515.95
    sulfolane 480.49
    2,2,4-trimethylpentane 17.89
    2-methyltetrahydrofuran 435.51
    n-hexyl acetate 190.42
    isooctane 13.79
    2-(2-butoxyethoxy)ethanol 356.65
    sec-butyl acetate 78.06
    tert-butyl acetate 127.18
    decalin 27.07
    glycerin 492.38
    diglyme 516.09
    acrylic acid 427.56
    isopropyl myristate 76.57
    n-butyric acid 499.56
    acetyl acetate 195.01
    di(2-ethylhexyl) phthalate 105.6
    ethyl propionate 102.98
    nitromethane 702.53
    1,2-diethoxyethane 193.31
    benzonitrile 262.56
    trioctyl phosphate 71.8
    1-bromopropane 204.71
    gamma-valerolactone 596.58
    n-decanol 87.91
    triethyl phosphate 75.74
    4-methyl-2-pentanol 108.18
    propionitrile 298.26
    vinylene carbonate 324.69
    1,1,2-trichlorotrifluoroethane 473.7
    DMS 147.11
    cumene 54.15
    2-octanol 78.25
    2-hexanone 112.35
    octyl acetate 103.12
    limonene 98.05
    1,2-dimethoxyethane 347.17
    ethyl orthosilicate 72.9
    tributyl phosphate 86.03
    diacetone alcohol 192.38
    N,N-dimethylaniline 104.06
    acrylonitrile 333.22
    aniline 243.69
    1,3-propanediol 513.46
    bromobenzene 198.83
    dibromomethane 567.99
    1,1,2,2-tetrachloroethane 600.82
    2-methyl-cyclohexyl acetate 123.64
    tetrabutyl urea 108.41
    diisobutyl methanol 78.62
    2-phenylethanol 203.23
    styrene 75.39
    dioctyl adipate 131.11
    dimethyl sulfate 120.11
    ethyl butyrate 120.38
    methyl lactate 163.58
    butyl lactate 127.63
    diethyl carbonate 96.43
    propanediol butyl ether 284.04
    triethyl orthoformate 98.53
    p-tert-butyltoluene 63.34
    methyl 4-tert-butylbenzoate 161.65
    morpholine 789.75
    tert-butylamine 287.02
    n-dodecanol 68.82
    dimethoxymethane 219.12
    ethylene carbonate 265.32
    cyrene 190.06
    2-ethoxyethyl acetate 155.17
    2-ethylhexyl acetate 111.05
    1,2,4-trichlorobenzene 248.64
    4-methylpyridine 329.89
    dibutyl ether 105.03
    2,6-dimethyl-4-heptanol 78.62
    DEF 201.98
    dimethyl isosorbide 325.65
    tetrachloroethylene 398.1
    eugenol 164.38
    triacetin 220.16
    span 80 245.04
    1,4-butanediol 191.48
    1,1-dichloroethane 410.46
    2-methyl-1-pentanol 154.68
    methyl formate 227.64
    2-methyl-1-butanol 241.49
    n-decane 18.77
    butyronitrile 320.4
    3,7-dimethyl-1-octanol 127.25
    1-chlorooctane 71.57
    1-chlorotetradecane 31.94
    n-nonane 17.7
    undecane 14.19
    tert-butylcyclohexane 23.45
    cyclooctane 23.27
    cyclopentanol 409.84
    tetrahydropyran 542.02
    tert-amyl methyl ether 116.23
    2,5,8-trioxanonane 406.51
    1-hexene 75.79
    2-isopropoxyethanol 171.73
    2,2,2-trifluoroethanol 260.81
    methyl butyrate 137.52

    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