2H-pyran

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  • Identifiers

    CAS number
    289-66-7

    Molecular formula
    C5H6O

    SMILES
    C1C=CC=CO1

  • Odor profile

    Fragrance
    Sweet 66.91%
    Spicy 54.81%
    Pungent 32.09%
    Fruity 30.22%
    Warm 29.86%
    Cinnamon 28.26%
    Herbal 27.6%
    Nutty 26.36%
    Aromatic 24.56%
    Anisic 23.52%

     

    Flavor
    Shrimp 21.83%
    Spice 20.56%
    Bitter 19.81%
    Alkaline 19.07%
    Mint 18.87%
    Cauliflower 17.8%
    Clam 17.66%
    Animal 17.55%
    Maple syrup 17.39%
    Terpentine 17.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.59 (neutral)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    82°C

    Flash point

    • 1.9 ˚C est.

  • Synonyms

    • 2H-pyran
    • Pyran
    • alpha-Pyran
    • 1,2-Pyran
    • CH5P2A5WTT
    • 289-66-7
    • CHEBI:35592
    • .ALPHA.-PYRAN
    • UNII-CH5P2A5WTT
    • 31441-32-4
    • trans-pyran
    • pyran-
    • 1,2-dihyropyran
    • 1,2-dihydropyrane
    • CHEBI:35594
    • DTXSID401349138
    • Q217356

  • Applications

    2H-pyran (CAS 289-66-7) is primarily used as a building block and intermediate in organic synthesis, serving to construct oxygen-containing heterocycles and related frameworks, and it can also function as a solvent or reaction medium in chemical manufacturing. In fragrance and flavor research, it is regarded as a core structural scaffold for developing aroma compounds or as a precursor to aroma-related constituents. In polymers and plastics, it can act as a precursor for polymerizable motifs or as a framework for ether- or ring-structured materials. In coatings and inks, it may be used as a solvent or as an intermediate for making additives or formulation components. In pharmaceutical research, it is utilized as a heterocyclic building block for the synthesis of related compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.77
    methanol 276.58
    isopropanol 141.16
    water 7.04
    ethyl acetate 287.67
    n-propanol 172.78
    acetone 199.94
    n-butanol 147.87
    acetonitrile 496.74
    DMF 317.1
    toluene 111.13
    isobutanol 107.72
    1,4-dioxane 348.31
    methyl acetate 273.62
    THF 289.29
    2-butanone 198.15
    n-pentanol 115.17
    sec-butanol 145.14
    n-hexane 14.26
    ethylene glycol 111.52
    NMP 169.48
    cyclohexane 20.29
    DMSO 434.21
    n-butyl acetate 109.34
    n-octanol 44.29
    chloroform 671.05
    n-propyl acetate 110.64
    acetic acid 437.59
    dichloromethane 620.2
    cyclohexanone 143.97
    propylene glycol 139.86
    isopropyl acetate 105.08
    DMAc 297.21
    2-ethoxyethanol 232.54
    isopentanol 109.09
    n-heptane 18.1
    ethyl formate 141.84
    1,2-dichloroethane 295.17
    n-hexanol 96.05
    2-methoxyethanol 339.37
    isobutyl acetate 56.2
    tetrachloromethane 94.6
    n-pentyl acetate 58.39
    transcutol 736.14
    n-heptanol 46.0
    ethylbenzene 38.75
    MIBK 72.85
    2-propoxyethanol 190.7
    tert-butanol 147.35
    MTBE 109.7
    2-butoxyethanol 103.82
    propionic acid 267.09
    o-xylene 66.68
    formic acid 190.26
    diethyl ether 170.16
    m-xylene 66.24
    p-xylene 46.72
    chlorobenzene 137.13
    dimethyl carbonate 83.03
    n-octane 6.27
    formamide 257.92
    cyclopentanone 181.17
    2-pentanone 140.72
    anisole 118.88
    cyclopentyl methyl ether 127.1
    gamma-butyrolactone 248.89
    1-methoxy-2-propanol 222.54
    pyridine 420.36
    3-pentanone 128.48
    furfural 301.09
    n-dodecane 4.83
    diethylene glycol 197.19
    diisopropyl ether 38.45
    tert-amyl alcohol 133.57
    acetylacetone 159.27
    n-hexadecane 5.05
    acetophenone 95.46
    methyl propionate 203.01
    isopentyl acetate 69.84
    trichloroethylene 571.05
    n-nonanol 39.66
    cyclohexanol 98.67
    benzyl alcohol 114.48
    2-ethylhexanol 57.12
    isooctanol 36.18
    dipropyl ether 93.49
    1,2-dichlorobenzene 106.51
    ethyl lactate 62.48
    propylene carbonate 126.66
    n-methylformamide 243.77
    2-pentanol 98.08
    n-pentane 16.6
    1-propoxy-2-propanol 137.35
    1-methoxy-2-propyl acetate 110.78
    2-(2-methoxypropoxy) propanol 120.1
    mesitylene 33.51
    ε-caprolactone 146.83
    p-cymene 30.44
    epichlorohydrin 338.9
    1,1,1-trichloroethane 251.05
    2-aminoethanol 195.45
    morpholine-4-carbaldehyde 298.54
    sulfolane 225.13
    2,2,4-trimethylpentane 10.17
    2-methyltetrahydrofuran 201.26
    n-hexyl acetate 68.72
    isooctane 7.04
    2-(2-butoxyethoxy)ethanol 165.19
    sec-butyl acetate 64.71
    tert-butyl acetate 82.88
    decalin 11.16
    glycerin 175.02
    diglyme 287.6
    acrylic acid 274.75
    isopropyl myristate 28.24
    n-butyric acid 244.08
    acetyl acetate 150.54
    di(2-ethylhexyl) phthalate 36.4
    ethyl propionate 103.08
    nitromethane 592.75
    1,2-diethoxyethane 185.97
    benzonitrile 153.11
    trioctyl phosphate 21.31
    1-bromopropane 169.14
    gamma-valerolactone 254.47
    n-decanol 29.72
    triethyl phosphate 39.9
    4-methyl-2-pentanol 51.07
    propionitrile 252.32
    vinylene carbonate 138.67
    1,1,2-trichlorotrifluoroethane 320.45
    DMS 74.88
    cumene 26.85
    2-octanol 26.47
    2-hexanone 89.55
    octyl acetate 38.79
    limonene 43.16
    1,2-dimethoxyethane 249.29
    ethyl orthosilicate 41.55
    tributyl phosphate 28.68
    diacetone alcohol 114.5
    N,N-dimethylaniline 77.37
    acrylonitrile 345.07
    aniline 183.57
    1,3-propanediol 188.91
    bromobenzene 132.19
    dibromomethane 371.21
    1,1,2,2-tetrachloroethane 374.79
    2-methyl-cyclohexyl acetate 53.29
    tetrabutyl urea 39.2
    diisobutyl methanol 35.87
    2-phenylethanol 96.61
    styrene 62.95
    dioctyl adipate 52.42
    dimethyl sulfate 118.76
    ethyl butyrate 91.29
    methyl lactate 105.65
    butyl lactate 48.93
    diethyl carbonate 60.38
    propanediol butyl ether 94.06
    triethyl orthoformate 61.14
    p-tert-butyltoluene 28.23
    methyl 4-tert-butylbenzoate 69.23
    morpholine 391.1
    tert-butylamine 96.82
    n-dodecanol 23.12
    dimethoxymethane 202.22
    ethylene carbonate 106.55
    cyrene 86.21
    2-ethoxyethyl acetate 108.52
    2-ethylhexyl acetate 56.75
    1,2,4-trichlorobenzene 131.23
    4-methylpyridine 243.71
    dibutyl ether 61.27
    2,6-dimethyl-4-heptanol 35.87
    DEF 205.91
    dimethyl isosorbide 132.94
    tetrachloroethylene 259.8
    eugenol 76.9
    triacetin 100.43
    span 80 92.75
    1,4-butanediol 84.49
    1,1-dichloroethane 263.54
    2-methyl-1-pentanol 90.32
    methyl formate 148.84
    2-methyl-1-butanol 113.29
    n-decane 7.75
    butyronitrile 212.73
    3,7-dimethyl-1-octanol 47.12
    1-chlorooctane 26.77
    1-chlorotetradecane 12.02
    n-nonane 7.72
    undecane 5.87
    tert-butylcyclohexane 10.64
    cyclooctane 8.68
    cyclopentanol 103.29
    tetrahydropyran 209.23
    tert-amyl methyl ether 89.27
    2,5,8-trioxanonane 208.3
    1-hexene 51.62
    2-isopropoxyethanol 143.85
    2,2,2-trifluoroethanol 148.44
    methyl butyrate 114.39

    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