2,6-Dimethyl-3-heptanone

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  • Identifiers

    CAS number
    19549-83-8

    Molecular formula
    C9H18O

    SMILES
    CC(C)CCC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 82.52%
    Herbal 77.92%
    Mint 50.35%
    Ketonic 47.76%
    Fresh 38.71%
    Sweet 37.23%
    Cheesy 36.43%
    Camphoreous 34.33%
    Ethereal 31.5%
    Spicy 29.36%

     

    Flavor
    Green 50.35%
    Fruity 44.32%
    Tropical 27.16%
    Oily 24.54%
    Herbal 22.67%
    Leafy 21.2%
    Berry 20.63%
    Cheese 20.33%
    Yeasty 20.27%
    Ethereal 20.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.17 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    174°C

    Flash point

    • 55.98 ˚C est.

  • Synonyms

    • 2,6-Dimethylheptan-3-one
    • 2,6-Dimethyl-3-heptanone
    • UNII-56924GH37X
    • EINECS 243-149-9
    • 56924GH37X
    • NSC-155180
    • DTXSID20173220
    • NSC 155180
    • RefChem:83286
    • DTXCID9095711
    • 243-149-9
    • HFNWDYQEGABWQS-UHFFFAOYSA-N
    • 19549-83-8
    • 3-Heptanone, 2,6-dimethyl-
    • 2,6-dimethyl-heptan-3-one
    • 3-Heptanone,2,6-dimethyl-
    • NSC155180
    • 3-Heptanone,6-dimethyl-
    • 2,6-dimethyl-3 -heptanone
    • SCHEMBL800723
    • SCHEMBL28831888
    • AKOS009390612
    • NS00026374
    • Q27261390
    • 19549-83-8

  • Applications

    2,6-Dimethyl-3-heptanone (CAS 19549-83-8) is primarily used as a fragrance ingredient in perfumery and cosmetics, imparting fruity and green notes. It is also evaluated and used as an aroma component in food flavorings at limited levels and serves as an intermediate in industrial chemical synthesis for preparing other compounds. In household products, it can function as a fragrance additive in cleaners and air fresheners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 603.66
    methanol 470.31
    isopropanol 675.69
    water 1.34
    ethyl acetate 278.96
    n-propanol 522.69
    acetone 337.29
    n-butanol 571.93
    acetonitrile 356.83
    DMF 283.48
    toluene 251.32
    isobutanol 450.89
    1,4-dioxane 625.99
    methyl acetate 288.16
    THF 740.68
    2-butanone 404.82
    n-pentanol 413.01
    sec-butanol 632.87
    n-hexane 214.63
    ethylene glycol 80.43
    NMP 320.78
    cyclohexane 209.27
    DMSO 210.11
    n-butyl acetate 578.71
    n-octanol 373.47
    chloroform 1541.32
    n-propyl acetate 246.08
    acetic acid 354.78
    dichloromethane 887.84
    cyclohexanone 601.98
    propylene glycol 180.76
    isopropyl acetate 209.41
    DMAc 314.64
    2-ethoxyethanol 304.08
    isopentanol 519.65
    n-heptane 177.81
    ethyl formate 255.14
    1,2-dichloroethane 380.48
    n-hexanol 687.36
    2-methoxyethanol 422.02
    isobutyl acetate 204.0
    tetrachloromethane 320.5
    n-pentyl acetate 329.46
    transcutol 810.39
    n-heptanol 376.9
    ethylbenzene 222.2
    MIBK 207.97
    2-propoxyethanol 527.05
    tert-butanol 728.95
    MTBE 470.16
    2-butoxyethanol 432.93
    propionic acid 333.22
    o-xylene 196.95
    formic acid 94.96
    diethyl ether 316.39
    m-xylene 175.99
    p-xylene 326.68
    chlorobenzene 363.69
    dimethyl carbonate 54.71
    n-octane 75.64
    formamide 106.2
    cyclopentanone 506.49
    2-pentanone 286.19
    anisole 290.89
    cyclopentyl methyl ether 317.26
    gamma-butyrolactone 464.73
    1-methoxy-2-propanol 361.85
    pyridine 613.36
    3-pentanone 189.36
    furfural 553.12
    n-dodecane 55.04
    diethylene glycol 268.88
    diisopropyl ether 125.86
    tert-amyl alcohol 614.61
    acetylacetone 220.54
    n-hexadecane 60.95
    acetophenone 276.03
    methyl propionate 168.06
    isopentyl acetate 552.61
    trichloroethylene 872.65
    n-nonanol 320.46
    cyclohexanol 485.34
    benzyl alcohol 274.89
    2-ethylhexanol 509.9
    isooctanol 304.89
    dipropyl ether 336.16
    1,2-dichlorobenzene 329.7
    ethyl lactate 130.96
    propylene carbonate 384.26
    n-methylformamide 169.67
    2-pentanol 409.76
    n-pentane 143.61
    1-propoxy-2-propanol 491.87
    1-methoxy-2-propyl acetate 296.67
    2-(2-methoxypropoxy) propanol 324.7
    mesitylene 127.64
    ε-caprolactone 540.54
    p-cymene 217.04
    epichlorohydrin 525.32
    1,1,1-trichloroethane 660.77
    2-aminoethanol 215.91
    morpholine-4-carbaldehyde 405.98
    sulfolane 401.04
    2,2,4-trimethylpentane 78.27
    2-methyltetrahydrofuran 701.21
    n-hexyl acetate 454.69
    isooctane 64.09
    2-(2-butoxyethoxy)ethanol 424.16
    sec-butyl acetate 208.98
    tert-butyl acetate 233.62
    decalin 116.56
    glycerin 169.3
    diglyme 598.71
    acrylic acid 238.35
    isopropyl myristate 188.21
    n-butyric acid 536.52
    acetyl acetate 171.56
    di(2-ethylhexyl) phthalate 183.77
    ethyl propionate 189.57
    nitromethane 304.26
    1,2-diethoxyethane 357.92
    benzonitrile 485.23
    trioctyl phosphate 138.67
    1-bromopropane 415.03
    gamma-valerolactone 626.06
    n-decanol 226.98
    triethyl phosphate 160.39
    4-methyl-2-pentanol 257.42
    propionitrile 389.17
    vinylene carbonate 348.4
    1,1,2-trichlorotrifluoroethane 435.54
    DMS 189.61
    cumene 178.39
    2-octanol 298.62
    2-hexanone 325.16
    octyl acetate 228.56
    limonene 309.38
    1,2-dimethoxyethane 513.03
    ethyl orthosilicate 167.43
    tributyl phosphate 168.06
    diacetone alcohol 277.04
    N,N-dimethylaniline 211.75
    acrylonitrile 368.22
    aniline 294.16
    1,3-propanediol 336.16
    bromobenzene 371.1
    dibromomethane 685.66
    1,1,2,2-tetrachloroethane 805.89
    2-methyl-cyclohexyl acetate 324.32
    tetrabutyl urea 189.07
    diisobutyl methanol 254.37
    2-phenylethanol 355.69
    styrene 245.82
    dioctyl adipate 245.34
    dimethyl sulfate 79.65
    ethyl butyrate 353.26
    methyl lactate 112.84
    butyl lactate 275.27
    diethyl carbonate 229.54
    propanediol butyl ether 381.26
    triethyl orthoformate 263.94
    p-tert-butyltoluene 204.87
    methyl 4-tert-butylbenzoate 274.9
    morpholine 720.77
    tert-butylamine 548.44
    n-dodecanol 171.84
    dimethoxymethane 161.19
    ethylene carbonate 284.05
    cyrene 225.77
    2-ethoxyethyl acetate 290.86
    2-ethylhexyl acetate 455.57
    1,2,4-trichlorobenzene 398.26
    4-methylpyridine 626.3
    dibutyl ether 341.77
    2,6-dimethyl-4-heptanol 254.37
    DEF 249.8
    dimethyl isosorbide 434.3
    tetrachloroethylene 511.41
    eugenol 289.49
    triacetin 297.0
    span 80 376.68
    1,4-butanediol 149.4
    1,1-dichloroethane 645.65
    2-methyl-1-pentanol 392.52
    methyl formate 120.04
    2-methyl-1-butanol 460.47
    n-decane 94.88
    butyronitrile 550.56
    3,7-dimethyl-1-octanol 372.98
    1-chlorooctane 242.93
    1-chlorotetradecane 101.9
    n-nonane 97.89
    undecane 69.01
    tert-butylcyclohexane 122.95
    cyclooctane 77.03
    cyclopentanol 457.26
    tetrahydropyran 726.04
    tert-amyl methyl ether 328.71
    2,5,8-trioxanonane 414.24
    1-hexene 455.94
    2-isopropoxyethanol 258.09
    2,2,2-trifluoroethanol 100.86
    methyl butyrate 289.46

    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