2-Isooctanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    928-68-7

    Molecular formula
    C8H16O

    SMILES
    CC(C)CCCC(=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1221.0

  • Odor profile

    Herbal 77.84%
    Fruity 73.68%
    Ketonic 68.96%
    Sweet 58.48%
    Mint 52.2%
    Spicy 51.89%
    Cheesy 49.43%
    Woody 47.14%
    Fresh 41.66%
    Green 41.6%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point est.
    50.75 ˚C

  • Synonyms

    • 6-Methylheptan-2-one
    • 6-METHYL-2-HEPTANONE
    • 928-68-7
    • 2-Heptanone, 6-methyl-
    • 2-Isooctanone
    • 2-Methyl-6-heptanone
    • Methyl isohexyl ketone
    • 6-methyl-heptan-2-one
    • N203Q7UI56
    • ISOOCTAN-2-ONE
    • EINECS 213-179-7
    • MFCD00026527
    • NSC 39665
    • NSC-39665
    • DTXSID7061302
    • DPLGXGDPPMLJHN-UHFFFAOYSA-
    • Methyl 4-Methylpentyl Ketone
    • 2-Heptanone,6-methyl-
    • Methylheptanon
    • UNII-N203Q7UI56
    • 2Methyl6heptanone
    • 6Methylheptan2one
    • 2-Isooctanone; 2-Methyl-6-heptanone; 6-Methyl-2-heptanone; Isooctan-2-one; Methyl isohexyl ketone; NSC 39665
    • NSC39665
    • 2Heptanone, 6methyl
    • 6-Methyl 2-heptanone
    • 6-METHYLHEPTANONE
    • SCHEMBL130602
    • DTXCID3048819
    • CHEBI:184396
    • 6-Methyl-2-heptanone, AldrichCPR
    • AAA92868
    • LMFA12000041
    • AKOS009157571
    • BS-17861
    • SY052020
    • DB-242815
    • CS-0154232
    • M0700
    • NS00021391
    • EN300-72298
    • D81757
    • Q27284399
    • 213-179-7

  • Applications

    2-Isooctanone is a branched aliphatic ketone with a high boiling point, moderate evaporation rate and strong solvency for many organic resins (acrylics, alkyds, nitrocellulose, epoxies), making it useful as a performance solvent for coatings, printing inks, adhesives and sealants; as a cleaning/degreasing and metalworking solvent; as a carrier/diluent in crop-protection and oilfield formulations; as a process solvent for synthesis, extraction and polymerization; and as a versatile intermediate to form oximes, amines (via reductive amination), alcohols (via hydrogenation) and downstream derivatives used in surfactants, lubricant additives, specialty esters and fine chemicals; it is also applied to tune viscosity, open time and leveling of resin systems and to enhance co-solvency and pigment/filler dispersion in diverse industrial formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1622.36
    methanol 1507.37
    isopropanol 1320.68
    water 2.62
    ethyl acetate 666.01
    n-propanol 1086.23
    acetone 942.68
    n-butanol 1165.54
    acetonitrile 737.05
    DMF 604.93
    toluene 254.91
    isobutanol 735.71
    1,4-dioxane 1504.09
    methyl acetate 520.61
    THF 2110.94
    2-butanone 615.72
    n-pentanol 595.13
    sec-butanol 883.23
    n-hexane 309.92
    ethylene glycol 232.57
    NMP 698.79
    cyclohexane 404.32
    DMSO 621.36
    n-butyl acetate 818.22
    n-octanol 464.84
    chloroform 1996.36
    n-propyl acetate 383.9
    acetic acid 1055.46
    dichloromethane 1275.3
    cyclohexanone 1135.7
    propylene glycol 422.91
    isopropyl acetate 409.83
    DMAc 431.62
    2-ethoxyethanol 538.05
    isopentanol 835.83
    n-heptane 298.78
    ethyl formate 458.41
    1,2-dichloroethane 588.67
    n-hexanol 1179.58
    2-methoxyethanol 1098.75
    isobutyl acetate 261.34
    tetrachloromethane 369.53
    n-pentyl acetate 402.72
    transcutol 1984.96
    n-heptanol 429.01
    ethylbenzene 176.33
    MIBK 332.69
    2-propoxyethanol 1100.13
    tert-butanol 1268.19
    MTBE 685.02
    2-butoxyethanol 545.54
    propionic acid 680.92
    o-xylene 178.24
    formic acid 270.46
    diethyl ether 762.2
    m-xylene 191.38
    p-xylene 232.33
    chlorobenzene 378.83
    dimethyl carbonate 104.34
    n-octane 77.86
    formamide 253.67
    cyclopentanone 1001.41
    2-pentanone 574.55
    anisole 305.1
    cyclopentyl methyl ether 791.24
    gamma-butyrolactone 996.86
    1-methoxy-2-propanol 774.88
    pyridine 761.94
    3-pentanone 340.49
    furfural 827.74
    n-dodecane 55.8
    diethylene glycol 602.99
    diisopropyl ether 239.75
    tert-amyl alcohol 804.95
    acetylacetone 506.45
    n-hexadecane 62.09
    acetophenone 267.6
    methyl propionate 344.93
    isopentyl acetate 666.78
    trichloroethylene 1117.61
    n-nonanol 377.4
    cyclohexanol 972.36
    benzyl alcohol 275.21
    2-ethylhexanol 627.89
    isooctanol 304.76
    dipropyl ether 660.03
    1,2-dichlorobenzene 318.82
    ethyl lactate 175.45
    propylene carbonate 623.89
    n-methylformamide 382.61
    2-pentanol 691.05
    n-pentane 255.21
    1-propoxy-2-propanol 886.19
    1-methoxy-2-propyl acetate 544.23
    2-(2-methoxypropoxy) propanol 501.5
    mesitylene 130.02
    ε-caprolactone 943.85
    p-cymene 191.08
    epichlorohydrin 941.27
    1,1,1-trichloroethane 743.85
    2-aminoethanol 562.32
    morpholine-4-carbaldehyde 864.04
    sulfolane 903.54
    2,2,4-trimethylpentane 89.38
    2-methyltetrahydrofuran 1541.49
    n-hexyl acetate 685.21
    isooctane 72.19
    2-(2-butoxyethoxy)ethanol 742.87
    sec-butyl acetate 272.64
    tert-butyl acetate 430.74
    decalin 129.81
    glycerin 418.78
    diglyme 1023.4
    acrylic acid 474.7
    isopropyl myristate 247.64
    n-butyric acid 1168.55
    acetyl acetate 386.04
    di(2-ethylhexyl) phthalate 230.66
    ethyl propionate 309.64
    nitromethane 870.74
    1,2-diethoxyethane 660.59
    benzonitrile 453.52
    trioctyl phosphate 184.96
    1-bromopropane 591.46
    gamma-valerolactone 1283.02
    n-decanol 269.15
    triethyl phosphate 186.36
    4-methyl-2-pentanol 341.17
    propionitrile 560.89
    vinylene carbonate 501.19
    1,1,2-trichlorotrifluoroethane 715.68
    DMS 299.14
    cumene 133.67
    2-octanol 297.4
    2-hexanone 437.91
    octyl acetate 321.76
    limonene 355.25
    1,2-dimethoxyethane 886.78
    ethyl orthosilicate 192.33
    tributyl phosphate 236.88
    diacetone alcohol 485.95
    N,N-dimethylaniline 199.91
    acrylonitrile 487.04
    aniline 387.81
    1,3-propanediol 779.12
    bromobenzene 365.27
    dibromomethane 960.68
    1,1,2,2-tetrachloroethane 970.02
    2-methyl-cyclohexyl acetate 382.34
    tetrabutyl urea 260.8
    diisobutyl methanol 312.93
    2-phenylethanol 409.12
    styrene 205.09
    dioctyl adipate 354.5
    dimethyl sulfate 140.91
    ethyl butyrate 474.09
    methyl lactate 217.52
    butyl lactate 348.45
    diethyl carbonate 280.9
    propanediol butyl ether 582.62
    triethyl orthoformate 339.54
    p-tert-butyltoluene 188.8
    methyl 4-tert-butylbenzoate 306.26
    morpholine 1722.09
    tert-butylamine 893.11
    n-dodecanol 202.92
    dimethoxymethane 397.67
    ethylene carbonate 457.66
    cyrene 314.31
    2-ethoxyethyl acetate 444.06
    2-ethylhexyl acetate 526.37
    1,2,4-trichlorobenzene 399.47
    4-methylpyridine 692.99
    dibutyl ether 534.48
    2,6-dimethyl-4-heptanol 312.93
    DEF 480.21
    dimethyl isosorbide 692.67
    tetrachloroethylene 671.14
    eugenol 309.32
    triacetin 464.48
    span 80 595.15
    1,4-butanediol 257.73
    1,1-dichloroethane 795.79
    2-methyl-1-pentanol 444.89
    methyl formate 259.2
    2-methyl-1-butanol 682.08
    n-decane 98.65
    butyronitrile 820.49
    3,7-dimethyl-1-octanol 407.83
    1-chlorooctane 264.55
    1-chlorotetradecane 110.68
    n-nonane 105.55
    undecane 70.57
    tert-butylcyclohexane 120.07
    cyclooctane 122.78
    cyclopentanol 974.16
    tetrahydropyran 1646.42
    tert-amyl methyl ether 460.11
    2,5,8-trioxanonane 714.55
    1-hexene 585.38
    2-isopropoxyethanol 382.12
    2,2,2-trifluoroethanol 237.62
    methyl butyrate 426.97

    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

Botanical

Name CAS Botanical Proportion
Basil (Nigeria) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.03%
Lemongrass (Nigeria) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.0%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 0.18%
Nicotiana rustica flower Nicotiana rustica L, subgenus Rustica, var. brasilia, fam. Solanaceae 1.8%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%