5,6-Dimethyltetrahydropyran-2-one

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  • Identifiers

    CAS number
    10413-18-0

    Molecular formula
    C7H12O2

    SMILES
    CC1CCC(=O)OC1C

  • Odor profile

    Fragrance
    Fruity 65.49%
    Mint 50.65%
    Coconut 49.73%
    Herbal 49.42%
    Coumarinic 47.91%
    Sweet 43.21%
    Tobacco 39.5%
    Lactonic 38.1%
    Creamy 36.52%
    Caramellic 35.7%

     

    Flavor
    Fruity 66.8%
    Minty 55.95%
    Herbal 45.31%
    Sweet 39.21%
    Tobacco 33.84%
    Coumarin 29.97%
    Caramel 28.76%
    Fruit 26.52%
    Mint 24.69%
    Woody 24.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.41 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 214.00 to 216.00 °C. @ 760.00 mm Hg

    Flash point

    • 58.83 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 5,6-dimethyloxan-2-one
    • 10413-18-0
    • Tetrahydro-5,6-dimethyl-2H-pyran-2-one
    • FEMA no. 4141
    • 4-Methyl-5-hexanolide
    • 5,6-Dimethyltetrahydropyran-2-one
    • UNII-468HLK0YCE
    • 468HLK0YCE
    • 4-Methyl-5-hydroxyhexanoic acid lactone
    • 5-Hydroxy-4-methylhexanoic acid lactone
    • 2H-Pyran-2-one, tetrahydro-5,6-dimethyl-
    • 5-Hydroxy-4-methylhexanoic acid delta-lactone
    • 5-HYDROXY-4-METHYLHEXANOICACIDDELTA-LACTONE
    • Hexanoic acid, 5-hydroxy-4-methyl-, delta-lactone
    • DTXSID30893649
    • 5-Hydroxy-4-methylhexanoic acid delta-lactone [FHFI]
    • 5,6-DIMETHYL TETRAHYDROPYRAN-2-ONE
    • g,D-Dimethyl-D-valerolactone
    • SCHEMBL3694450
    • DTXCID20218660
    • CHEBI:167917
    • 5,6-dimethyl-tetrahydropyran-2-one
    • NS00121823
    • Hexanoic acid, 5-hydroxyl-4-methyl-, delta-lactone
    • 5-HYDROXY-4-METHYLHEXANOIC ACID .DELTA.-LACTONE
    • 5-HYDROXY-4-METHYLHEXANOIC ACID .DELTA.-LACTONE [FHFI]
    • HEXANOIC ACID, 5-HYDROXY-4-METHYL-, .DELTA.-LACTONE
    • 600-524-5

  • Applications

    5,6-Dimethyltetrahydropyran-2-one (CAS 10413-18-0) is viewed as an intermediate in organic synthesis, serving as a building block for pharmaceuticals and agrochemicals. In fragrance chemistry, this lactone can function as an odorant or aroma ingredient, contributing to fruity or creamy notes in perfumes and personal care products. For cosmetics and household products, it may be used as a fragrance component or additive. In polymer and plastics processing, it can act as a monomer precursor for lactone-containing polymers or as a reactive intermediate in polyester synthesis. In industrial manufacturing, it is considered a chemical building block and may be evaluated for use in coatings/inks as a reactive diluent or additive, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 626.5
    methanol 772.54
    isopropanol 451.19
    water 7.23
    ethyl acetate 336.67
    n-propanol 414.86
    acetone 401.62
    n-butanol 310.79
    acetonitrile 482.15
    DMF 467.03
    toluene 148.71
    isobutanol 264.31
    1,4-dioxane 731.29
    methyl acetate 360.5
    THF 590.76
    2-butanone 302.75
    n-pentanol 219.92
    sec-butanol 284.61
    n-hexane 11.18
    ethylene glycol 142.27
    NMP 320.61
    cyclohexane 16.38
    DMSO 509.2
    n-butyl acetate 189.45
    n-octanol 102.97
    chloroform 1207.97
    n-propyl acetate 126.33
    acetic acid 539.85
    dichloromethane 822.6
    cyclohexanone 348.31
    propylene glycol 168.6
    isopropyl acetate 156.5
    DMAc 333.99
    2-ethoxyethanol 301.54
    isopentanol 255.79
    n-heptane 7.48
    ethyl formate 210.04
    1,2-dichloroethane 375.78
    n-hexanol 228.2
    2-methoxyethanol 540.16
    isobutyl acetate 86.35
    tetrachloromethane 112.92
    n-pentyl acetate 120.67
    transcutol 1192.74
    n-heptanol 98.85
    ethylbenzene 67.43
    MIBK 122.81
    2-propoxyethanol 392.28
    tert-butanol 434.15
    MTBE 229.15
    2-butoxyethanol 204.85
    propionic acid 367.76
    o-xylene 92.93
    formic acid 262.76
    diethyl ether 227.95
    m-xylene 102.8
    p-xylene 99.16
    chlorobenzene 258.65
    dimethyl carbonate 78.0
    n-octane 4.6
    formamide 291.87
    cyclopentanone 418.24
    2-pentanone 201.75
    anisole 179.29
    cyclopentyl methyl ether 187.14
    gamma-butyrolactone 506.74
    1-methoxy-2-propanol 371.59
    pyridine 490.42
    3-pentanone 132.38
    furfural 480.82
    n-dodecane 5.63
    diethylene glycol 333.47
    diisopropyl ether 50.51
    tert-amyl alcohol 277.46
    acetylacetone 251.33
    n-hexadecane 6.48
    acetophenone 149.38
    methyl propionate 210.21
    isopentyl acetate 161.86
    trichloroethylene 765.95
    n-nonanol 84.61
    cyclohexanol 201.57
    benzyl alcohol 182.62
    2-ethylhexanol 95.99
    isooctanol 76.21
    dipropyl ether 72.77
    1,2-dichlorobenzene 200.47
    ethyl lactate 76.23
    propylene carbonate 232.03
    n-methylformamide 357.17
    2-pentanol 173.54
    n-pentane 12.63
    1-propoxy-2-propanol 223.73
    1-methoxy-2-propyl acetate 185.99
    2-(2-methoxypropoxy) propanol 215.22
    mesitylene 59.99
    ε-caprolactone 326.95
    p-cymene 45.28
    epichlorohydrin 535.04
    1,1,1-trichloroethane 382.97
    2-aminoethanol 298.88
    morpholine-4-carbaldehyde 482.96
    sulfolane 404.98
    2,2,4-trimethylpentane 10.49
    2-methyltetrahydrofuran 400.61
    n-hexyl acetate 186.8
    isooctane 9.28
    2-(2-butoxyethoxy)ethanol 312.67
    sec-butyl acetate 92.46
    tert-butyl acetate 153.64
    decalin 12.91
    glycerin 212.17
    diglyme 469.76
    acrylic acid 303.41
    isopropyl myristate 61.19
    n-butyric acid 392.89
    acetyl acetate 191.72
    di(2-ethylhexyl) phthalate 77.23
    ethyl propionate 105.91
    nitromethane 703.8
    1,2-diethoxyethane 261.99
    benzonitrile 282.26
    trioctyl phosphate 49.03
    1-bromopropane 207.82
    gamma-valerolactone 565.46
    n-decanol 60.49
    triethyl phosphate 56.64
    4-methyl-2-pentanol 102.07
    propionitrile 311.51
    vinylene carbonate 247.66
    1,1,2-trichlorotrifluoroethane 358.5
    DMS 148.82
    cumene 48.35
    2-octanol 66.99
    2-hexanone 137.28
    octyl acetate 81.84
    limonene 57.81
    1,2-dimethoxyethane 366.03
    ethyl orthosilicate 55.14
    tributyl phosphate 65.75
    diacetone alcohol 209.76
    N,N-dimethylaniline 103.66
    acrylonitrile 408.27
    aniline 253.68
    1,3-propanediol 349.69
    bromobenzene 247.43
    dibromomethane 501.32
    1,1,2,2-tetrachloroethane 580.06
    2-methyl-cyclohexyl acetate 93.88
    tetrabutyl urea 75.79
    diisobutyl methanol 56.66
    2-phenylethanol 186.55
    styrene 93.91
    dioctyl adipate 92.85
    dimethyl sulfate 121.58
    ethyl butyrate 104.73
    methyl lactate 116.76
    butyl lactate 109.39
    diethyl carbonate 78.45
    propanediol butyl ether 214.12
    triethyl orthoformate 76.25
    p-tert-butyltoluene 44.93
    methyl 4-tert-butylbenzoate 134.7
    morpholine 739.11
    tert-butylamine 217.72
    n-dodecanol 44.22
    dimethoxymethane 243.04
    ethylene carbonate 195.09
    cyrene 145.48
    2-ethoxyethyl acetate 214.04
    2-ethylhexyl acetate 119.43
    1,2,4-trichlorobenzene 250.31
    4-methylpyridine 438.43
    dibutyl ether 84.63
    2,6-dimethyl-4-heptanol 56.66
    DEF 205.99
    dimethyl isosorbide 273.2
    tetrachloroethylene 366.22
    eugenol 151.93
    triacetin 169.95
    span 80 170.08
    1,4-butanediol 139.99
    1,1-dichloroethane 480.29
    2-methyl-1-pentanol 179.88
    methyl formate 226.7
    2-methyl-1-butanol 212.98
    n-decane 9.32
    butyronitrile 285.34
    3,7-dimethyl-1-octanol 103.06
    1-chlorooctane 51.19
    1-chlorotetradecane 19.71
    n-nonane 8.11
    undecane 7.03
    tert-butylcyclohexane 13.91
    cyclooctane 5.86
    cyclopentanol 244.34
    tetrahydropyran 408.2
    tert-amyl methyl ether 133.87
    2,5,8-trioxanonane 335.02
    1-hexene 63.43
    2-isopropoxyethanol 203.15
    2,2,2-trifluoroethanol 169.53
    methyl butyrate 143.94

    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