Tetrahydro-4H-pyran-4-one

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  • Identifiers

    CAS number
    29943-42-8

    Molecular formula
    C5H8O2

    SMILES
    C1COCCC1=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 66.18%
    Nutty 49.76%
    Coumarinic 48.82%
    Fruity 47.67%
    Caramellic 47.21%
    Coconut 45.78%
    Buttery 44.05%
    Oily 41.78%
    Woody 41.45%
    Herbal 36.95%

     

    Flavor
    Sweet 64.25%
    Coconut 41.11%
    Caramel 40.86%
    Fatty 39.81%
    Buttery 37.91%
    Oily 37.86%
    Tonka 35.36%
    Herbal 33.1%
    Coumarin 31.41%
    Creamy 31.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    7.61 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 52.23 ˚C est.

  • Synonyms

    • Tetrahydro-4H-pyran-4-one
    • 29943-42-8
    • 4-Oxotetrahydropyran
    • 4H-Pyran-4-one, tetrahydro-
    • Tetrahydro-4-pyrone
    • Tetrahydro-.gamma.-pyrone
    • 4-Oxacyclohexanone
    • EINECS 249-967-2
    • DTXSID70184048
    • 2,3,5,6-Tetrahydro-4-pyranone
    • Tetrahydro-gamma-pyrone
    • RefChem:188630
    • DTXCID80106539
    • 249-967-2
    • InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H
    • JMJRYTGVHCAYCT-UHFFFAOYSA-N
    • oxan-4-one
    • tetrahydropyran-4-one
    • DIHYDRO-2H-PYRAN-4(3H)-ONE
    • 143562-54-3
    • MFCD00006581
    • 4-thp
    • tetrahydro-2h-pyran-4-one
    • tetrahydro-pyran-4-one
    • 2H-3,5,6-trihydropyran-4-one
    • tetrahydro-4-pyranone
    • Tetrahydropyran-4-on
    • 4-oxo-tetrahydropyran
    • tetrahydro-pyran4-one
    • tetrahydropyran-4 one
    • tetrahydro-pyran-4-on
    • tetrahydro pyran-4-one
    • dihydro-2H-pyran-4-one
    • tetrahydro-4H-pyran4-one
    • tetrahydro4H-pyran-4-one
    • N8SV5GRB9E
    • 4-oxotetrahydro-2H-pyrane
    • terahydro-4H-pyran-4-one
    • tetrahydo-4H-pyran-4-one
    • tetrahyro-4H-pyran-4-one
    • 4-TETRAHYDROPYRANONE
    • SCHEMBL3221
    • tetrahydro-4H-pyrane-4-one
    • tetrahydro-4-h-pyran-4-one
    • dihydro-2H-pyran 4(3H)-one
    • orb3029970
    • SCHEMBL1565376
    • SCHEMBL4093141
    • dihydro-2H-pyran-4 (3H)-one
    • dihydro-2H-pyran-4-(3H)-one
    • 2,3,5,6-tetrahydropyran-4-one
    • ALBB-008898
    • BB_SC-11189
    • CS-D0601
    • Tetrahydro-4H-pyran-4-one, 99%
    • BBL027597
    • SBB049627
    • STK505649
    • AKOS000321371
    • FT11119
    • PB24536
    • PS-9329
    • BP-12696
    • HY-76487
    • DB-353109
    • NS00028811
    • ST50947955
    • T1806
    • EN300-43315
    • F036435
    • F0001-0924
    • 29943-42-8

  • Applications

    Tetrahydro-4H-pyran-4-one (CAS 29943-42-8) is commonly used as an intermediate in organic synthesis to access heterocyclic compounds and lactones for pharmaceutical research and chemical development. It is also considered a precursor for fragrance-related compounds and aroma derivatives, which can be transformed into aromatic materials in perfumery and flavor applications. In the polymer and plastics sector, it can serve as a building block for specialty polymers or resins, and in coatings, inks, and adhesives it is explored as a precursor for resin systems. Additionally, it may be used as a versatile intermediate for constructing more complex heterocyclic frameworks, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.63
    methanol 603.49
    isopropanol 186.31
    water 52.49
    ethyl acetate 225.72
    n-propanol 148.12
    acetone 494.1
    n-butanol 104.55
    acetonitrile 811.3
    DMF 740.48
    toluene 43.17
    isobutanol 91.7
    1,4-dioxane 297.01
    methyl acetate 337.93
    THF 326.43
    2-butanone 243.1
    n-pentanol 64.11
    sec-butanol 104.85
    n-hexane 5.37
    ethylene glycol 131.65
    NMP 425.11
    cyclohexane 6.44
    DMSO 609.38
    n-butyl acetate 42.61
    n-octanol 24.64
    chloroform 947.5
    n-propyl acetate 65.96
    acetic acid 719.35
    dichloromethane 758.89
    cyclohexanone 166.5
    propylene glycol 113.61
    isopropyl acetate 79.17
    DMAc 547.9
    2-ethoxyethanol 191.36
    isopentanol 74.92
    n-heptane 4.64
    ethyl formate 188.92
    1,2-dichloroethane 273.51
    n-hexanol 35.1
    2-methoxyethanol 446.51
    isobutyl acetate 32.16
    tetrachloromethane 100.37
    n-pentyl acetate 37.78
    transcutol 377.19
    n-heptanol 22.63
    ethylbenzene 17.94
    MIBK 53.08
    2-propoxyethanol 108.41
    tert-butanol 160.78
    MTBE 72.95
    2-butoxyethanol 71.31
    propionic acid 338.01
    o-xylene 33.99
    formic acid 477.67
    diethyl ether 108.03
    m-xylene 26.32
    p-xylene 32.26
    chlorobenzene 106.09
    dimethyl carbonate 81.48
    n-octane 2.09
    formamide 701.86
    cyclopentanone 303.21
    2-pentanone 135.01
    anisole 77.37
    cyclopentyl methyl ether 90.24
    gamma-butyrolactone 454.25
    1-methoxy-2-propanol 248.54
    pyridine 325.93
    3-pentanone 108.22
    furfural 463.87
    n-dodecane 1.97
    diethylene glycol 125.24
    diisopropyl ether 15.16
    tert-amyl alcohol 97.01
    acetylacetone 166.92
    n-hexadecane 2.15
    acetophenone 78.86
    methyl propionate 196.04
    isopentyl acetate 31.77
    trichloroethylene 624.04
    n-nonanol 22.65
    cyclohexanol 66.71
    benzyl alcohol 91.92
    2-ethylhexanol 20.49
    isooctanol 18.8
    dipropyl ether 29.29
    1,2-dichlorobenzene 89.9
    ethyl lactate 48.38
    propylene carbonate 179.69
    n-methylformamide 573.25
    2-pentanol 55.67
    n-pentane 5.34
    1-propoxy-2-propanol 67.69
    1-methoxy-2-propyl acetate 53.88
    2-(2-methoxypropoxy) propanol 72.01
    mesitylene 14.55
    ε-caprolactone 155.35
    p-cymene 13.21
    epichlorohydrin 406.12
    1,1,1-trichloroethane 274.76
    2-aminoethanol 204.96
    morpholine-4-carbaldehyde 388.93
    sulfolane 346.95
    2,2,4-trimethylpentane 3.39
    2-methyltetrahydrofuran 181.09
    n-hexyl acetate 48.74
    isooctane 1.95
    2-(2-butoxyethoxy)ethanol 97.69
    sec-butyl acetate 36.05
    tert-butyl acetate 54.91
    decalin 4.1
    glycerin 190.64
    diglyme 197.57
    acrylic acid 377.0
    isopropyl myristate 16.88
    n-butyric acid 269.44
    acetyl acetate 135.92
    di(2-ethylhexyl) phthalate 22.4
    ethyl propionate 67.8
    nitromethane 1353.08
    1,2-diethoxyethane 71.85
    benzonitrile 143.11
    trioctyl phosphate 13.2
    1-bromopropane 108.52
    gamma-valerolactone 383.91
    n-decanol 15.77
    triethyl phosphate 23.68
    4-methyl-2-pentanol 27.02
    propionitrile 280.03
    vinylene carbonate 181.26
    1,1,2-trichlorotrifluoroethane 404.5
    DMS 55.49
    cumene 13.66
    2-octanol 14.57
    2-hexanone 66.31
    octyl acetate 24.21
    limonene 17.93
    1,2-dimethoxyethane 220.11
    ethyl orthosilicate 20.92
    tributyl phosphate 19.09
    diacetone alcohol 94.41
    N,N-dimethylaniline 49.4
    acrylonitrile 461.45
    aniline 134.0
    1,3-propanediol 204.55
    bromobenzene 91.55
    dibromomethane 375.68
    1,1,2,2-tetrachloroethane 397.64
    2-methyl-cyclohexyl acetate 28.76
    tetrabutyl urea 27.58
    diisobutyl methanol 14.02
    2-phenylethanol 52.37
    styrene 31.09
    dioctyl adipate 31.55
    dimethyl sulfate 138.73
    ethyl butyrate 41.23
    methyl lactate 117.1
    butyl lactate 36.64
    diethyl carbonate 30.4
    propanediol butyl ether 67.3
    triethyl orthoformate 28.22
    p-tert-butyltoluene 12.45
    methyl 4-tert-butylbenzoate 54.88
    morpholine 351.26
    tert-butylamine 79.24
    n-dodecanol 11.72
    dimethoxymethane 225.02
    ethylene carbonate 129.92
    cyrene 75.12
    2-ethoxyethyl acetate 70.95
    2-ethylhexyl acetate 24.0
    1,2,4-trichlorobenzene 116.51
    4-methylpyridine 239.39
    dibutyl ether 28.36
    2,6-dimethyl-4-heptanol 14.02
    DEF 201.07
    dimethyl isosorbide 93.61
    tetrachloroethylene 275.39
    eugenol 56.33
    triacetin 76.3
    span 80 56.07
    1,4-butanediol 69.64
    1,1-dichloroethane 364.65
    2-methyl-1-pentanol 47.46
    methyl formate 329.8
    2-methyl-1-butanol 69.62
    n-decane 3.37
    butyronitrile 196.94
    3,7-dimethyl-1-octanol 24.29
    1-chlorooctane 14.28
    1-chlorotetradecane 5.64
    n-nonane 3.13
    undecane 2.42
    tert-butylcyclohexane 3.98
    cyclooctane 2.34
    cyclopentanol 108.7
    tetrahydropyran 142.18
    tert-amyl methyl ether 50.38
    2,5,8-trioxanonane 133.6
    1-hexene 20.85
    2-isopropoxyethanol 94.53
    2,2,2-trifluoroethanol 338.57
    methyl butyrate 90.35

    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