2,6-Dimethyl-4-pyranone

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  • Identifiers

    CAS number
    1004-36-0

    Molecular formula
    C7H8O2

    SMILES
    CC1=CC(=O)C=C(O1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 73.52%
    Nutty 55.73%
    Caramellic 53.51%
    Green 47.18%
    Burnt 42.14%
    Musty 40.53%
    Roasted 40.1%
    Coumarinic 33.72%
    Phenolic 31.57%
    Hay 31.01%

     

    Flavor
    Sweet 38.8%
    Nutty 38.35%
    Woody 35.83%
    Musty 35.28%
    Cocoa 33.75%
    Almond 31.47%
    Coffee 30.56%
    Phenolic 30.49%
    Caramel 28.98%
    Tobacco 26.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.25 (neutral)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 59.45 ˚C est.

  • Synonyms

    • 2,6-Dimethyl-4H-pyran-4-one
    • 1004-36-0
    • 2,6-Dimethyl-gamma-pyrone
    • 2,6-Dimethyl-4-pyrone
    • 2,6-Dimethyl-4-pyranone
    • 4H-PYRAN-4-ONE, 2,6-DIMETHYL-
    • 2,6-Dimethyl-.gamma.-pyrone
    • NSC 8735
    • CCRIS 3601
    • NSC-8735
    • EINECS 213-719-1
    • NSC 48105
    • BRN 0107418
    • V2D262MF0L
    • AI3-05951
    • NSC-48105
    • DTXSID6074415
    • 2,6-dimethyl-4H-pyran-4o-one
    • 5-17-09-00410 (Beilstein Handbook Reference)
    • DIMETHYL-4-PYRONE, 2,6-
    • RefChem:445692
    • DTXCID0032526
    • 213-719-1
    • InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H
    • 2,6-dimethylpyran-4-one
    • gamma-2,6-Dimethylpyrone
    • MFCD00006579
    • 2,6-Dimethyl-pyran-4-one
    • 2,6-Dimethyl-g-pyrone
    • 2,6-Dimethyl-|A-pyrone
    • CHEMBL223295
    • 4-Pyrone, 2,6-dimethyl-
    • 4H-Pyran-4-one,6-dimethyl-
    • WLN: T6O DVJ B1 F1
    • UNII-V2D262MF0L
    • 2,6-Dimethylpyrone
    • 2,6-dimethyl 4-pyrone
    • SCHEMBL9586
    • .gamma.-2,6-Dimethylpyrone
    • 2,6-Dimethyl-I(3)-pyron
    • 2,6-Dimethyl- gamma -pyrone
    • 2,6-Dimethyl-4H-pyran-4one
    • orb2940317
    • SCHEMBL27806530
    • SCHEMBL29094962
    • NSC8735
    • 2,6-Dimethyl-gamma-pyrone, 99%
    • NSC48105
    • BDBM50195868
    • EBC-04024
    • SBB056217
    • STK328106
    • AKOS000120477
    • CS-W011185
    • HY-W010469
    • SB66380
    • AC-24427
    • DS-11861
    • SY011155
    • D0794
    • NS00015537
    • ST45022208
    • EN300-20155
    • P16521
    • F069041
    • Q27291448
    • F1244-0115
    • Z104477080
    • 1004-36-0

  • Applications

    2,6-Dimethyl-4-pyranone (CAS 1004-36-0) is primarily used as an aroma/fragrance intermediate. In perfumery and flavor applications it may serve as an aroma component or as a precursor to more complex fragrance compounds. It may also be evaluated for use in cosmetics and personal care as a scent ingredient. In household products such as air fresheners and cleaners it can be added as a fragrance additive. In industrial manufacturing it can act as a chemical intermediate for the synthesis of other organic compounds and as a building block for materials or polymers, depending on formulation constraints and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.88
    methanol 152.62
    isopropanol 86.22
    water 11.66
    ethyl acetate 253.29
    n-propanol 93.83
    acetone 265.79
    n-butanol 85.99
    acetonitrile 249.64
    DMF 326.13
    toluene 117.08
    isobutanol 75.36
    1,4-dioxane 393.72
    methyl acetate 246.57
    THF 557.63
    2-butanone 176.15
    n-pentanol 57.76
    sec-butanol 82.55
    n-hexane 34.83
    ethylene glycol 65.03
    NMP 503.18
    cyclohexane 54.01
    DMSO 252.66
    n-butyl acetate 96.36
    n-octanol 54.58
    chloroform 315.86
    n-propyl acetate 94.54
    acetic acid 271.57
    dichloromethane 351.97
    cyclohexanone 241.78
    propylene glycol 57.24
    isopropyl acetate 119.64
    DMAc 374.13
    2-ethoxyethanol 121.7
    isopentanol 71.08
    n-heptane 21.97
    ethyl formate 148.38
    1,2-dichloroethane 212.48
    n-hexanol 76.34
    2-methoxyethanol 252.94
    isobutyl acetate 62.17
    tetrachloromethane 68.87
    n-pentyl acetate 69.88
    transcutol 320.39
    n-heptanol 33.16
    ethylbenzene 49.15
    MIBK 91.26
    2-propoxyethanol 174.46
    tert-butanol 120.68
    MTBE 119.84
    2-butoxyethanol 67.36
    propionic acid 154.64
    o-xylene 75.27
    formic acid 134.58
    diethyl ether 196.95
    m-xylene 85.71
    p-xylene 62.15
    chlorobenzene 122.31
    dimethyl carbonate 129.28
    n-octane 9.83
    formamide 150.86
    cyclopentanone 335.37
    2-pentanone 157.55
    anisole 116.7
    cyclopentyl methyl ether 266.52
    gamma-butyrolactone 499.28
    1-methoxy-2-propanol 176.69
    pyridine 183.05
    3-pentanone 147.39
    furfural 328.64
    n-dodecane 10.54
    diethylene glycol 153.72
    diisopropyl ether 59.27
    tert-amyl alcohol 96.15
    acetylacetone 226.11
    n-hexadecane 11.9
    acetophenone 99.0
    methyl propionate 208.67
    isopentyl acetate 80.29
    trichloroethylene 330.29
    n-nonanol 48.47
    cyclohexanol 117.01
    benzyl alcohol 68.18
    2-ethylhexanol 50.46
    isooctanol 28.82
    dipropyl ether 84.5
    1,2-dichlorobenzene 115.2
    ethyl lactate 62.3
    propylene carbonate 228.5
    n-methylformamide 180.59
    2-pentanol 65.45
    n-pentane 28.66
    1-propoxy-2-propanol 104.99
    1-methoxy-2-propyl acetate 140.17
    2-(2-methoxypropoxy) propanol 111.59
    mesitylene 55.16
    ε-caprolactone 244.56
    p-cymene 36.42
    epichlorohydrin 394.1
    1,1,1-trichloroethane 223.97
    2-aminoethanol 78.66
    morpholine-4-carbaldehyde 375.89
    sulfolane 428.37
    2,2,4-trimethylpentane 17.02
    2-methyltetrahydrofuran 354.0
    n-hexyl acetate 120.38
    isooctane 12.0
    2-(2-butoxyethoxy)ethanol 124.45
    sec-butyl acetate 69.26
    tert-butyl acetate 125.85
    decalin 26.14
    glycerin 103.34
    diglyme 214.66
    acrylic acid 159.05
    isopropyl myristate 55.34
    n-butyric acid 153.44
    acetyl acetate 201.22
    di(2-ethylhexyl) phthalate 53.74
    ethyl propionate 121.32
    nitromethane 493.9
    1,2-diethoxyethane 109.5
    benzonitrile 100.48
    trioctyl phosphate 36.76
    1-bromopropane 127.53
    gamma-valerolactone 391.52
    n-decanol 37.72
    triethyl phosphate 59.53
    4-methyl-2-pentanol 40.66
    propionitrile 131.98
    vinylene carbonate 214.84
    1,1,2-trichlorotrifluoroethane 214.18
    DMS 160.2
    cumene 39.01
    2-octanol 29.08
    2-hexanone 85.2
    octyl acetate 69.18
    limonene 53.72
    1,2-dimethoxyethane 226.41
    ethyl orthosilicate 55.23
    tributyl phosphate 53.05
    diacetone alcohol 126.1
    N,N-dimethylaniline 83.8
    acrylonitrile 163.67
    aniline 101.31
    1,3-propanediol 101.82
    bromobenzene 123.93
    dibromomethane 231.44
    1,1,2,2-tetrachloroethane 231.46
    2-methyl-cyclohexyl acetate 76.84
    tetrabutyl urea 66.03
    diisobutyl methanol 33.99
    2-phenylethanol 73.8
    styrene 56.79
    dioctyl adipate 82.51
    dimethyl sulfate 208.83
    ethyl butyrate 87.76
    methyl lactate 104.02
    butyl lactate 52.62
    diethyl carbonate 69.95
    propanediol butyl ether 69.37
    triethyl orthoformate 69.46
    p-tert-butyltoluene 37.69
    methyl 4-tert-butylbenzoate 110.5
    morpholine 348.96
    tert-butylamine 80.23
    n-dodecanol 31.11
    dimethoxymethane 270.99
    ethylene carbonate 178.02
    cyrene 114.42
    2-ethoxyethyl acetate 118.86
    2-ethylhexyl acetate 69.31
    1,2,4-trichlorobenzene 140.74
    4-methylpyridine 191.15
    dibutyl ether 74.69
    2,6-dimethyl-4-heptanol 33.99
    DEF 192.34
    dimethyl isosorbide 205.83
    tetrachloroethylene 157.29
    eugenol 87.59
    triacetin 140.67
    span 80 86.43
    1,4-butanediol 41.33
    1,1-dichloroethane 205.63
    2-methyl-1-pentanol 57.84
    methyl formate 185.09
    2-methyl-1-butanol 77.62
    n-decane 15.9
    butyronitrile 118.05
    3,7-dimethyl-1-octanol 54.9
    1-chlorooctane 49.8
    1-chlorotetradecane 24.54
    n-nonane 15.94
    undecane 12.63
    tert-butylcyclohexane 24.53
    cyclooctane 22.28
    cyclopentanol 146.48
    tetrahydropyran 275.13
    tert-amyl methyl ether 115.78
    2,5,8-trioxanonane 176.15
    1-hexene 62.95
    2-isopropoxyethanol 85.16
    2,2,2-trifluoroethanol 145.33
    methyl butyrate 128.05

    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