2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-

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  • Identifiers

    CAS number
    71566-51-3

    Molecular formula
    C8H14O2

    SMILES
    CC1CC(CC(=O)O1)(C)C

  • Odor profile

    Fragrance
    Herbal 75.73%
    Mint 59.8%
    Tobacco 49.19%
    Sweet 47.99%
    Citrus 45.92%
    Spicy 42.41%
    Camphoreous 37.71%
    Coumarinic 36.45%
    Celery 35.65%
    Woody 35.33%

     

    Flavor
    Sweet 61.01%
    Herbal 60.42%
    Fruity 57.63%
    Tobacco 51.92%
    Woody 50.26%
    Minty 40.98%
    Camphor 37.51%
    Green 35.41%
    Musty 30.25%
    Fruit 26.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.59 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 62.42 ˚C est.

  • Synonyms

    • 4,4,6-trimethyloxan-2-one
    • 71566-51-3
    • 10603-06-2
    • 2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-
    • Tetrahydro-4,4,6-trimethyl-2H-pyran-2-one
    • 4,6,6(4,4,6)-Trimethyltetrahydropyran-2-one
    • NSC134775
    • 2H-Pyran-2-one, tetrahydro-4,4,6-trimethyl-
    • SCHEMBL2755811
    • DTXSID10992124
    • 2H-Pyran-2-one,4,6-trimethyl-
    • NSC-134775
    • 4,4,6-trimethyl-tetrahydropyran-2-one
    • DS-004150
    • 4,4,6-Trimethyltetrahydro-2H-pyran-2-one #
    • 2H-PYRAN-2-ONE,TETRAHYDRO-4,4,6-TRIMETHYL-

  • Applications

    2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl- (CAS 71566-51-3) is used as a fragrance ingredient and odorant in perfumery and cosmetics, and as a fragrance component in household products; it also serves as an intermediate in organic synthesis for cyclic lactones and terpenoid derivatives in industrial manufacturing, and can function as a building block or precursor for specialty polymers and monomers in the plastics sector; its use is typically formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 580.11
    methanol 825.07
    isopropanol 403.6
    water 14.97
    ethyl acetate 460.86
    n-propanol 454.65
    acetone 482.85
    n-butanol 357.54
    acetonitrile 508.03
    DMF 449.58
    toluene 186.66
    isobutanol 302.84
    1,4-dioxane 650.51
    methyl acetate 463.25
    THF 1023.44
    2-butanone 384.43
    n-pentanol 211.08
    sec-butanol 338.96
    n-hexane 76.29
    ethylene glycol 178.41
    NMP 629.8
    cyclohexane 105.72
    DMSO 296.18
    n-butyl acetate 298.94
    n-octanol 217.43
    chloroform 1008.61
    n-propyl acetate 191.76
    acetic acid 1037.9
    dichloromethane 648.94
    cyclohexanone 598.53
    propylene glycol 246.24
    isopropyl acetate 271.06
    DMAc 387.36
    2-ethoxyethanol 237.26
    isopentanol 253.89
    n-heptane 56.39
    ethyl formate 310.03
    1,2-dichloroethane 356.76
    n-hexanol 525.05
    2-methoxyethanol 515.5
    isobutyl acetate 132.56
    tetrachloromethane 141.14
    n-pentyl acetate 181.81
    transcutol 850.52
    n-heptanol 168.74
    ethylbenzene 90.92
    MIBK 206.76
    2-propoxyethanol 562.2
    tert-butanol 434.54
    MTBE 298.29
    2-butoxyethanol 231.62
    propionic acid 577.12
    o-xylene 133.55
    formic acid 409.55
    diethyl ether 370.5
    m-xylene 163.47
    p-xylene 119.66
    chlorobenzene 263.3
    dimethyl carbonate 150.72
    n-octane 20.08
    formamide 254.47
    cyclopentanone 649.0
    2-pentanone 331.3
    anisole 168.46
    cyclopentyl methyl ether 479.65
    gamma-butyrolactone 891.62
    1-methoxy-2-propanol 406.14
    pyridine 383.17
    3-pentanone 249.68
    furfural 542.05
    n-dodecane 19.21
    diethylene glycol 391.34
    diisopropyl ether 127.94
    tert-amyl alcohol 343.9
    acetylacetone 355.58
    n-hexadecane 21.59
    acetophenone 156.24
    methyl propionate 334.96
    isopentyl acetate 242.1
    trichloroethylene 697.39
    n-nonanol 175.45
    cyclohexanol 418.4
    benzyl alcohol 156.61
    2-ethylhexanol 224.7
    isooctanol 120.5
    dipropyl ether 190.65
    1,2-dichlorobenzene 223.22
    ethyl lactate 122.82
    propylene carbonate 475.07
    n-methylformamide 360.51
    2-pentanol 253.64
    n-pentane 70.84
    1-propoxy-2-propanol 350.99
    1-methoxy-2-propyl acetate 315.99
    2-(2-methoxypropoxy) propanol 240.32
    mesitylene 105.55
    ε-caprolactone 579.06
    p-cymene 83.3
    epichlorohydrin 637.39
    1,1,1-trichloroethane 469.67
    2-aminoethanol 293.97
    morpholine-4-carbaldehyde 543.91
    sulfolane 659.61
    2,2,4-trimethylpentane 35.95
    2-methyltetrahydrofuran 727.47
    n-hexyl acetate 361.12
    isooctane 29.85
    2-(2-butoxyethoxy)ethanol 340.87
    sec-butyl acetate 144.66
    tert-butyl acetate 284.52
    decalin 41.55
    glycerin 278.95
    diglyme 425.36
    acrylic acid 491.46
    isopropyl myristate 122.86
    n-butyric acid 588.45
    acetyl acetate 345.99
    di(2-ethylhexyl) phthalate 118.14
    ethyl propionate 188.49
    nitromethane 884.46
    1,2-diethoxyethane 230.1
    benzonitrile 256.19
    trioctyl phosphate 92.81
    1-bromopropane 284.18
    gamma-valerolactone 748.96
    n-decanol 127.94
    triethyl phosphate 93.27
    4-methyl-2-pentanol 145.22
    propionitrile 355.3
    vinylene carbonate 399.6
    1,1,2-trichlorotrifluoroethane 454.24
    DMS 248.96
    cumene 72.61
    2-octanol 122.28
    2-hexanone 189.84
    octyl acetate 165.38
    limonene 129.67
    1,2-dimethoxyethane 332.14
    ethyl orthosilicate 90.47
    tributyl phosphate 118.29
    diacetone alcohol 312.66
    N,N-dimethylaniline 113.54
    acrylonitrile 383.94
    aniline 247.84
    1,3-propanediol 333.21
    bromobenzene 241.17
    dibromomethane 481.9
    1,1,2,2-tetrachloroethane 559.46
    2-methyl-cyclohexyl acetate 163.6
    tetrabutyl urea 131.23
    diisobutyl methanol 105.68
    2-phenylethanol 231.01
    styrene 95.55
    dioctyl adipate 156.86
    dimethyl sulfate 213.97
    ethyl butyrate 177.85
    methyl lactate 191.15
    butyl lactate 162.47
    diethyl carbonate 123.79
    propanediol butyl ether 268.94
    triethyl orthoformate 126.69
    p-tert-butyltoluene 88.17
    methyl 4-tert-butylbenzoate 202.27
    morpholine 701.08
    tert-butylamine 292.44
    n-dodecanol 96.99
    dimethoxymethane 345.17
    ethylene carbonate 336.16
    cyrene 192.67
    2-ethoxyethyl acetate 240.05
    2-ethylhexyl acetate 191.04
    1,2,4-trichlorobenzene 277.92
    4-methylpyridine 405.49
    dibutyl ether 157.44
    2,6-dimethyl-4-heptanol 105.68
    DEF 312.56
    dimethyl isosorbide 359.67
    tetrachloroethylene 354.16
    eugenol 180.76
    triacetin 266.34
    span 80 247.33
    1,4-butanediol 121.16
    1,1-dichloroethane 484.3
    2-methyl-1-pentanol 168.97
    methyl formate 315.44
    2-methyl-1-butanol 260.04
    n-decane 32.67
    butyronitrile 346.69
    3,7-dimethyl-1-octanol 184.55
    1-chlorooctane 126.14
    1-chlorotetradecane 50.58
    n-nonane 34.15
    undecane 24.13
    tert-butylcyclohexane 43.02
    cyclooctane 39.14
    cyclopentanol 449.33
    tetrahydropyran 665.44
    tert-amyl methyl ether 243.85
    2,5,8-trioxanonane 317.14
    1-hexene 170.6
    2-isopropoxyethanol 176.32
    2,2,2-trifluoroethanol 346.53
    methyl butyrate 221.89

    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