2,6-Dimethyl-4-heptanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    108-83-8

    Molecular formula
    C9H18O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.02%
    Green 75.66%
    Sweet 75.08%
    Herbal 57.84%
    Ethereal 57.65%
    Banana 47.79%
    Fermented 42.71%
    Apple 41.23%
    Cheesy 40.76%
    Ketonic 40.24%

     

    Flavor
    Fruity 78.82%
    Green 77.13%
    Pineapple 46.47%
    Apple 39.13%
    Banana 38.62%
    Tropical 36.99%
    Herbal 35.04%
    Sweet 32.09%
    Berry 30.16%
    Ethereal 28.43%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.11 [mmHg]. Odor Threshold High: 0.31 [mmHg]. Odor threshold (detection at 0.11 ppm and recognition at 0.31 ppm) from CHEMINFO
    • < 0.11 ppm
    • 3.1X10-1 ppm (recognition in air, purity not specified)
    • Odor (high)= 1.8600 mg/cu m, odor (low)= 0.660 mg/cu m, irritating concn 150.00 mg/cu m.

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.89 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -51.5 °F (NTP, 1992)
    • -41.5 °C
    • -42 °C
    • -43 °F

    Boiling point

    • 331 °F at 760 mmHg (NTP, 1992)
    • 169.4 °C
    • 169.00 °C. @ 760.00 mm Hg
    • 168 °C
    • 334 °F

    Flash point

    • 55.2 ˚C est.
    • 140 °F (NTP, 1992)
    • 49 °C
    • 120 °F (49 °C) (Closed cup)
    • 49 °C c.c.
    • 120 °F

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • Miscible with ethanol, ether; soluble in carbon tetrachloride
    • SOL IN CHLOROFORM
    • Miscible with benzene
    • Miscibile with most organic liquids
    • For more Solubility (Complete) data for DIISOBUTYL KETONE (6 total), please visit the HSDB record page.
    • 2.64 mg/mL at 24 °C
    • Solubility in water: none
    • insoluble in water; soluble in alcohol and oils
    • 0.05%

  • Synonyms

    • 2,6-Dimethyl-4-heptanone
    • 2,6-Dimethylheptan-4-one
    • 108-83-8
    • DIISOBUTYL KETONE
    • Isovalerone
    • Diisobutylketone
    • Isobutyl ketone
    • Valerone
    • Diisobutilchetone
    • s-Diisopropylacetone
    • Di-isobutylcetone
    • DIBK
    • 4-Heptanone, 2,6-dimethyl-
    • Diisobutylketon
    • sym-Diisopropylacetone
    • 2,6-Dimetil-eptan-4-one
    • sec-Diisopropyl acetone
    • 2,6-Dimethyl-heptan-4-on
    • 2,6-Dimethylheptanone
    • FEMA No. 3537
    • NSC 15136
    • 2,6-dimethyl-heptan-4-one
    • DiisobutylKetone-13C4
    • Heptanone, 2,6-dimethyl-, 4-
    • (iso-C4H9)2CO
    • V52W30H1BU
    • DTXSID4025080
    • CHEBI:89195
    • NSC-15136
    • 2,6-Dimethyl-4-heptanone, tech grade
    • 4-Heptanone,6-dimethyl-
    • 2, GERMAN)
    • DTXCID905080
    • Diisobutylketon(DUTCH, GERMAN)
    • Caswell No. 355B
    • cognac heptanone
    • Di-isobutylcetone [French]
    • Diisobutilchetone [Italian]
    • CAS-108-83-8
    • WLN: 1Y1 & 1V1Y1 & 1
    • CCRIS 6233
    • HSDB 527
    • Diisobutylketon [Dutch, German]
    • EINECS 203-620-1
    • UN1157
    • 2,6-Dimethyl-4-heptanone (natural)
    • 2,6-Dimetil-eptan-4-one [Italian]
    • BRN 1743163
    • UNII-V52W30H1BU
    • 2,6-Dimethyl-heptan-4-on [Dutch,German]
    • AI3-11270
    • 2,6-Dimethyl-heptan-4-on [Dutch, German]
    • diisopropylacetone
    • di-isobutyl ketone
    • di-iso-butyl ketone
    • MFCD00008940
    • EC 203-620-1
    • 2,5-Dimethyl-4-heptanone
    • Diisobutyl ketone [UN1157] [Flammable liquid]
    • SCHEMBL36990
    • 4-01-00-03360 (Beilstein Handbook Reference)
    • SYM-DIISOPROPY LACETONE
    • 2,6 -dimethyl-4 -heptanone
    • CHEMBL3182186
    • DIISOBUTYL KETONE [HSDB]
    • FEMA 3537
    • 2,6-Dimethyl-4-heptanone, 99%
    • NSC15136
    • EINECS 271-042-7
    • Tox21_202406
    • Tox21_303091
    • BBL012214
    • NSC406913
    • STL163555
    • 2,6-Dimethyl-4-heptanone, >=99%
    • AKOS005207129
    • NSC-406913
    • UN 1157
    • NCGC00249221-01
    • NCGC00256951-01
    • NCGC00259955-01
    • VS-03235
    • 2,6-DIMETHYL-4-HEPTANONE [FHFI]
    • 2,6-Dimethyl-4-heptanone, technical grade
    • D0733
    • NS00009940
    • 2,6-Dimethyl-4-heptanone (diisobutyl ketone)
    • 2,6-Dimethyl-4-heptanone(Diisobutyl Ketone)
    • EN300-19773
    • F93016
    • 2,6-Dimethyl-4-heptanone, technical grade, 80%
    • A801931
    • Diisobutyl ketone [UN1157] [Flammable liquid]
    • 4-HEPTANONE,2,6-DIMETHYL DIISOBUTYL,KETONE
    • Q2416556
    • 4-HEPTANONE,2,6-DIMETHYL DIISOBUTYL,KETONE
    • InChI=1/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H
    • 2,6-Dimethylheptan-4-one (sum of 2,6-Dimethyl-4-heptanone & 4,6-Dimethyl-2-heptanone)

  • Applications

    2,6-Dimethyl-4-heptanone (also known as diisobutyl ketone, DIBK, CAS 108-83-8) is a high-boiling, low-odor industrial solvent whose limited water solubility but broad compatibility with organic media makes it valuable for high-solids paints, inks, adhesives, and epoxy, alkyd, urethane or acrylic resins where it lowers VOC content, improves flow and enhances film durability; in metal degreasing and electronic cleaning it acts as a slow-evaporating, low-residue stripper for oils, coatings and photoresist; in extraction and purification technologies it is employed to recover metals such as Cu and Ni, to dehydrate alcohols via azeotropic distillation, and to extract antibiotics, flavors and natural products; in pharmaceutical and agrochemical synthesis it serves as a process solvent or carrier that controls reaction temperature, resists peroxide formation and can be easily recovered; in Li-ion batteries, semiconductors and optoelectronic materials its high purity and low moisture deliver clean surfaces and minimal defects; furthermore, thanks to its high flash point and chemical stability, 2,6-Dimethyl-4-heptanone is used as a diluent in fuels, an intermediate for surfactants, a lubricant additive and a reaction medium for large-scale polymerizations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 541.35
    methanol 666.28
    isopropanol 558.62
    water 2.55
    ethyl acetate 332.76
    n-propanol 534.72
    acetone 505.05
    n-butanol 575.83
    acetonitrile 428.62
    DMF 454.49
    toluene 339.35
    isobutanol 458.83
    1,4-dioxane 797.36
    methyl acetate 301.7
    THF 1434.06
    2-butanone 395.0
    n-pentanol 353.04
    sec-butanol 524.51
    n-hexane 594.85
    ethylene glycol 122.51
    NMP 806.43
    cyclohexane 911.25
    DMSO 313.86
    n-butyl acetate 567.23
    n-octanol 460.39
    chloroform 2025.71
    n-propyl acetate 267.01
    acetic acid 698.74
    dichloromethane 1072.52
    cyclohexanone 1050.13
    propylene glycol 246.49
    isopropyl acetate 246.0
    DMAc 390.5
    2-ethoxyethanol 223.55
    isopentanol 466.55
    n-heptane 585.99
    ethyl formate 309.48
    1,2-dichloroethane 526.08
    n-hexanol 847.39
    2-methoxyethanol 432.09
    isobutyl acetate 230.84
    tetrachloromethane 478.69
    n-pentyl acetate 340.37
    transcutol 686.23
    n-heptanol 379.05
    ethylbenzene 254.75
    MIBK 273.05
    2-propoxyethanol 580.09
    tert-butanol 672.65
    MTBE 448.79
    2-butoxyethanol 344.48
    propionic acid 478.98
    o-xylene 251.77
    formic acid 172.62
    diethyl ether 432.42
    m-xylene 263.7
    p-xylene 352.67
    chlorobenzene 509.63
    dimethyl carbonate 121.19
    n-octane 175.91
    formamide 135.36
    cyclopentanone 944.06
    2-pentanone 370.26
    anisole 298.29
    cyclopentyl methyl ether 685.42
    gamma-butyrolactone 943.15
    1-methoxy-2-propanol 357.84
    pyridine 648.79
    3-pentanone 288.5
    furfural 754.04
    n-dodecane 123.1
    diethylene glycol 318.47
    diisopropyl ether 195.87
    tert-amyl alcohol 562.75
    acetylacetone 359.04
    n-hexadecane 136.93
    acetophenone 295.84
    methyl propionate 257.18
    isopentyl acetate 525.53
    trichloroethylene 1128.67
    n-nonanol 376.86
    cyclohexanol 817.22
    benzyl alcohol 271.1
    2-ethylhexanol 591.82
    isooctanol 298.13
    dipropyl ether 541.42
    1,2-dichlorobenzene 466.87
    ethyl lactate 169.36
    propylene carbonate 697.7
    n-methylformamide 261.9
    2-pentanol 428.85
    n-pentane 385.38
    1-propoxy-2-propanol 534.38
    1-methoxy-2-propyl acetate 361.27
    2-(2-methoxypropoxy) propanol 350.77
    mesitylene 203.77
    ε-caprolactone 783.86
    p-cymene 287.35
    epichlorohydrin 711.63
    1,1,1-trichloroethane 801.82
    2-aminoethanol 256.34
    morpholine-4-carbaldehyde 586.13
    sulfolane 945.77
    2,2,4-trimethylpentane 157.19
    2-methyltetrahydrofuran 965.61
    n-hexyl acetate 602.56
    isooctane 127.59
    2-(2-butoxyethoxy)ethanol 413.11
    sec-butyl acetate 197.54
    tert-butyl acetate 313.24
    decalin 267.36
    glycerin 265.25
    diglyme 570.91
    acrylic acid 413.39
    isopropyl myristate 286.21
    n-butyric acid 699.3
    acetyl acetate 274.86
    di(2-ethylhexyl) phthalate 263.3
    ethyl propionate 234.98
    nitromethane 513.96
    1,2-diethoxyethane 327.91
    benzonitrile 459.05
    trioctyl phosphate 218.16
    1-bromopropane 539.42
    gamma-valerolactone 894.17
    n-decanol 281.93
    triethyl phosphate 224.02
    4-methyl-2-pentanol 244.13
    propionitrile 420.85
    vinylene carbonate 580.01
    1,1,2-trichlorotrifluoroethane 618.19
    DMS 298.22
    cumene 203.87
    2-octanol 321.95
    2-hexanone 343.06
    octyl acetate 356.18
    limonene 463.95
    1,2-dimethoxyethane 473.35
    ethyl orthosilicate 217.17
    tributyl phosphate 259.49
    diacetone alcohol 332.06
    N,N-dimethylaniline 236.91
    acrylonitrile 385.83
    aniline 346.36
    1,3-propanediol 346.31
    bromobenzene 534.45
    dibromomethane 929.98
    1,1,2,2-tetrachloroethane 1069.06
    2-methyl-cyclohexyl acetate 456.61
    tetrabutyl urea 315.56
    diisobutyl methanol 353.76
    2-phenylethanol 390.28
    styrene 277.88
    dioctyl adipate 382.93
    dimethyl sulfate 180.98
    ethyl butyrate 373.24
    methyl lactate 186.42
    butyl lactate 317.09
    diethyl carbonate 274.09
    propanediol butyl ether 378.24
    triethyl orthoformate 307.99
    p-tert-butyltoluene 285.56
    methyl 4-tert-butylbenzoate 384.68
    morpholine 830.3
    tert-butylamine 595.12
    n-dodecanol 234.73
    dimethoxymethane 286.25
    ethylene carbonate 497.86
    cyrene 319.4
    2-ethoxyethyl acetate 285.71
    2-ethylhexyl acetate 438.16
    1,2,4-trichlorobenzene 523.08
    4-methylpyridine 638.0
    dibutyl ether 486.83
    2,6-dimethyl-4-heptanol 353.76
    DEF 339.13
    dimethyl isosorbide 622.82
    tetrachloroethylene 732.72
    eugenol 316.85
    triacetin 419.27
    span 80 483.63
    1,4-butanediol 149.54
    1,1-dichloroethane 686.23
    2-methyl-1-pentanol 321.36
    methyl formate 232.12
    2-methyl-1-butanol 450.02
    n-decane 207.47
    butyronitrile 592.71
    3,7-dimethyl-1-octanol 402.99
    1-chlorooctane 403.21
    1-chlorotetradecane 191.18
    n-nonane 232.85
    undecane 152.66
    tert-butylcyclohexane 248.51
    cyclooctane 291.1
    cyclopentanol 799.23
    tetrahydropyran 1095.26
    tert-amyl methyl ether 350.87
    2,5,8-trioxanonane 441.65
    1-hexene 674.78
    2-isopropoxyethanol 184.32
    2,2,2-trifluoroethanol 223.19
    methyl butyrate 339.93

    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