2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-

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  • Identifiers

    CAS number
    1099648-69-7

    Molecular formula
    C11H22O2

    SMILES
    CCC(CC)C1CC(CCO1)(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 74.26%
    Fresh 42.68%
    Herbal 39.61%
    Muguet 39.1%
    Mint 38.23%
    Lily 36.3%
    Sweet 34.34%
    Woody 34.19%
    Jasmin 30.76%
    Rose 29.39%

     

    Flavor
    Green 54.12%
    Minty 48.8%
    Herbal 38.32%
    Earthy 33.05%
    Tropical 32.42%
    Sweet 32.08%
    Fresh 28.69%
    Herb 25.79%
    Fruity 24.39%
    Metallic 24.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.68 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 95.01 ˚C est.

  • Synonyms

    • 2H-PYRAN-4-OL, 2-(1-ETHYLPROPYL)TETRAHYDRO-4-METHYL-
    • 1099648-69-7
    • DTXSID40889270
    • SCHEMBL1119054
    • DTXCID001028534
    • 4-methyl-2-pentan-3-yloxan-4-ol
    • 2-(1-ethyl-propyl)-4-methyl-tetrahydro-2H-pyran-4-ol
    • 685-617-9

  • Applications

    This pyran-4-ol derivative, 2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-, is primarily used as an advanced synthetic intermediate and enantioselective building block in pharmaceutical and fine-chemical development, enabling routes to active compounds. It can also serve as a precursor in agrochemical research, and may be evaluated for fragrance, flavor, and cosmetic formulations, as well as functioning as a functional monomer or building block in polymer and coating chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.2
    methanol 615.11
    isopropanol 670.46
    water 1.78
    ethyl acetate 311.94
    n-propanol 564.83
    acetone 373.08
    n-butanol 518.92
    acetonitrile 338.01
    DMF 336.16
    toluene 235.77
    isobutanol 483.38
    1,4-dioxane 824.09
    methyl acetate 303.52
    THF 1162.46
    2-butanone 327.83
    n-pentanol 309.85
    sec-butanol 487.26
    n-hexane 91.73
    ethylene glycol 121.96
    NMP 357.82
    cyclohexane 238.19
    DMSO 459.08
    n-butyl acetate 366.46
    n-octanol 264.19
    chloroform 1461.29
    n-propyl acetate 206.03
    acetic acid 359.07
    dichloromethane 934.75
    cyclohexanone 637.75
    propylene glycol 277.61
    isopropyl acetate 226.61
    DMAc 295.34
    2-ethoxyethanol 274.66
    isopentanol 414.87
    n-heptane 109.81
    ethyl formate 270.02
    1,2-dichloroethane 430.66
    n-hexanol 575.49
    2-methoxyethanol 499.74
    isobutyl acetate 178.66
    tetrachloromethane 247.16
    n-pentyl acetate 228.5
    transcutol 797.68
    n-heptanol 244.5
    ethylbenzene 134.96
    MIBK 199.1
    2-propoxyethanol 509.69
    tert-butanol 700.79
    MTBE 401.33
    2-butoxyethanol 287.71
    propionic acid 362.79
    o-xylene 171.0
    formic acid 99.96
    diethyl ether 337.2
    m-xylene 168.52
    p-xylene 195.36
    chlorobenzene 319.27
    dimethyl carbonate 88.39
    n-octane 40.91
    formamide 104.65
    cyclopentanone 584.51
    2-pentanone 278.88
    anisole 213.45
    cyclopentyl methyl ether 427.43
    gamma-butyrolactone 615.52
    1-methoxy-2-propanol 437.84
    pyridine 481.32
    3-pentanone 201.86
    furfural 515.18
    n-dodecane 36.23
    diethylene glycol 343.13
    diisopropyl ether 128.72
    tert-amyl alcohol 473.3
    acetylacetone 274.26
    n-hexadecane 40.94
    acetophenone 201.46
    methyl propionate 223.06
    isopentyl acetate 328.0
    trichloroethylene 775.59
    n-nonanol 218.27
    cyclohexanol 571.81
    benzyl alcohol 214.21
    2-ethylhexanol 314.77
    isooctanol 190.16
    dipropyl ether 286.12
    1,2-dichlorobenzene 282.57
    ethyl lactate 129.92
    propylene carbonate 408.86
    n-methylformamide 203.12
    2-pentanol 338.87
    n-pentane 109.64
    1-propoxy-2-propanol 396.51
    1-methoxy-2-propyl acetate 290.13
    2-(2-methoxypropoxy) propanol 279.19
    mesitylene 125.84
    ε-caprolactone 552.39
    p-cymene 139.98
    epichlorohydrin 590.67
    1,1,1-trichloroethane 536.19
    2-aminoethanol 279.73
    morpholine-4-carbaldehyde 436.46
    sulfolane 623.1
    2,2,4-trimethylpentane 55.8
    2-methyltetrahydrofuran 717.06
    n-hexyl acetate 357.57
    isooctane 45.21
    2-(2-butoxyethoxy)ethanol 364.16
    sec-butyl acetate 155.77
    tert-butyl acetate 234.52
    decalin 75.83
    glycerin 278.43
    diglyme 548.87
    acrylic acid 250.24
    isopropyl myristate 158.52
    n-butyric acid 541.56
    acetyl acetate 218.12
    di(2-ethylhexyl) phthalate 159.67
    ethyl propionate 166.73
    nitromethane 378.0
    1,2-diethoxyethane 284.27
    benzonitrile 335.88
    trioctyl phosphate 134.8
    1-bromopropane 396.1
    gamma-valerolactone 644.23
    n-decanol 163.3
    triethyl phosphate 130.0
    4-methyl-2-pentanol 201.89
    propionitrile 375.15
    vinylene carbonate 381.03
    1,1,2-trichlorotrifluoroethane 452.64
    DMS 208.81
    cumene 112.25
    2-octanol 180.19
    2-hexanone 216.39
    octyl acetate 196.05
    limonene 215.63
    1,2-dimethoxyethane 474.22
    ethyl orthosilicate 127.2
    tributyl phosphate 147.88
    diacetone alcohol 269.32
    N,N-dimethylaniline 147.47
    acrylonitrile 320.77
    aniline 289.53
    1,3-propanediol 387.53
    bromobenzene 344.54
    dibromomethane 697.87
    1,1,2,2-tetrachloroethane 725.9
    2-methyl-cyclohexyl acetate 236.48
    tetrabutyl urea 171.47
    diisobutyl methanol 167.87
    2-phenylethanol 269.76
    styrene 159.85
    dioctyl adipate 208.31
    dimethyl sulfate 136.16
    ethyl butyrate 235.09
    methyl lactate 156.86
    butyl lactate 208.51
    diethyl carbonate 162.78
    propanediol butyl ether 306.57
    triethyl orthoformate 183.97
    p-tert-butyltoluene 142.3
    methyl 4-tert-butylbenzoate 238.94
    morpholine 829.21
    tert-butylamine 500.02
    n-dodecanol 130.24
    dimethoxymethane 262.52
    ethylene carbonate 345.19
    cyrene 223.34
    2-ethoxyethyl acetate 245.1
    2-ethylhexyl acetate 273.56
    1,2,4-trichlorobenzene 330.03
    4-methylpyridine 443.56
    dibutyl ether 236.94
    2,6-dimethyl-4-heptanol 167.87
    DEF 250.07
    dimethyl isosorbide 409.94
    tetrachloroethylene 453.08
    eugenol 204.38
    triacetin 295.57
    span 80 324.45
    1,4-butanediol 148.72
    1,1-dichloroethane 560.61
    2-methyl-1-pentanol 245.64
    methyl formate 163.76
    2-methyl-1-butanol 377.92
    n-decane 61.71
    butyronitrile 454.24
    3,7-dimethyl-1-octanol 236.57
    1-chlorooctane 169.22
    1-chlorotetradecane 76.73
    n-nonane 62.81
    undecane 44.81
    tert-butylcyclohexane 70.61
    cyclooctane 72.96
    cyclopentanol 584.25
    tetrahydropyran 902.53
    tert-amyl methyl ether 247.11
    2,5,8-trioxanonane 415.94
    1-hexene 231.1
    2-isopropoxyethanol 219.71
    2,2,2-trifluoroethanol 117.9
    methyl butyrate 224.99

    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