5-Methylhexan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    623-56-3

    Molecular formula
    C7H14O

    SMILES
    CCC(=O)CC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 96.34%
    Sweet 72.45%
    Ethereal 64.55%
    Ketonic 61.27%
    Green 60.55%
    Banana 55.72%
    Herbal 55.36%
    Cheesy 55.28%
    Fermented 43.97%
    Pungent 42.72%

     

    Flavor
    Fruity 75.09%
    Green 57.85%
    Pineapple 43.43%
    Ethereal 39.5%
    Sweet 38.35%
    Banana 37.02%
    Herbal 34.25%
    Tropical 33.47%
    Apple 32.21%
    Ether 28.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.08 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 135 °C

    Flash point

    • 27.75 ˚C est.

  • Synonyms

    • 5-Methylhexan-3-one
    • 623-56-3
    • 5-Methyl-3-hexanone
    • 3-Hexanone, 5-methyl-
    • 884FC3YC2Q
    • EINECS 210-801-9
    • DTXSID90211360
    • ethylisobutyl ketone
    • 5Methylhexan3one
    • RefChem:537273
    • DTXCID90133851
    • 210-801-9
    • ETHYL ISOBUTYL KETONE
    • Isobutyl ethyl ketone
    • 2-Methyl-4-hexanone
    • MFCD00009319
    • ethyl isobutylketone
    • 5-methyl-hexan-3-one
    • UNII-884FC3YC2Q
    • SCHEMBL103502
    • SCHEMBL129336
    • orb3029137
    • SCHEMBL3086103
    • SCHEMBL3086105
    • SCHEMBL4935700
    • SCHEMBL9432098
    • SCHEMBL15873537
    • CHEBI:89209
    • AAA62356
    • LMFA12000088
    • AKOS009158853
    • BS-23403
    • SY053970
    • DB-054139
    • CS-0205108
    • E0249
    • NS00035019
    • D90471
    • EN300-116921
    • Q27161395
    • 623-56-3

  • Applications

    5-Methylhexan-3-one, CAS 623-56-3, is commonly used as an intermediate in fragrance and flavor chemistry to help develop specific aroma profiles; it may function as an odorant or fragrance ingredient in cosmetics and personal care products; it is employed as a fragrance component in household products and air fresheners; it is evaluated for use as a processing solvent or reactive intermediate in industrial manufacturing; and it serves as a building block in organic synthesis for applications related to polymers, coatings, and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 964.02
    methanol 1228.47
    isopropanol 1089.39
    water 5.09
    ethyl acetate 690.09
    n-propanol 998.66
    acetone 1086.56
    n-butanol 1081.64
    acetonitrile 923.22
    DMF 930.05
    toluene 470.71
    isobutanol 972.51
    1,4-dioxane 1182.49
    methyl acetate 671.63
    THF 1946.66
    2-butanone 909.81
    n-pentanol 679.88
    sec-butanol 1158.07
    n-hexane 885.07
    ethylene glycol 247.14
    NMP 1432.52
    cyclohexane 685.95
    DMSO 769.02
    n-butyl acetate 976.53
    n-octanol 911.09
    chloroform 2997.75
    n-propyl acetate 512.42
    acetic acid 1102.83
    dichloromethane 1792.54
    cyclohexanone 1669.69
    propylene glycol 456.25
    isopropyl acetate 528.22
    DMAc 814.7
    2-ethoxyethanol 513.02
    isopentanol 1020.32
    n-heptane 486.41
    ethyl formate 493.01
    1,2-dichloroethane 904.12
    n-hexanol 1426.85
    2-methoxyethanol 879.39
    isobutyl acetate 443.46
    tetrachloromethane 661.63
    n-pentyl acetate 674.91
    transcutol 1672.94
    n-heptanol 711.28
    ethylbenzene 392.14
    MIBK 602.85
    2-propoxyethanol 1136.27
    tert-butanol 1574.92
    MTBE 1192.09
    2-butoxyethanol 693.18
    propionic acid 941.69
    o-xylene 399.4
    formic acid 259.18
    diethyl ether 868.47
    m-xylene 417.42
    p-xylene 549.33
    chlorobenzene 758.19
    dimethyl carbonate 201.41
    n-octane 196.58
    formamide 184.63
    cyclopentanone 1673.67
    2-pentanone 813.51
    anisole 532.01
    cyclopentyl methyl ether 1135.39
    gamma-butyrolactone 1555.8
    1-methoxy-2-propanol 798.78
    pyridine 898.3
    3-pentanone 615.11
    furfural 1182.79
    n-dodecane 146.49
    diethylene glycol 652.19
    diisopropyl ether 438.25
    tert-amyl alcohol 1352.79
    acetylacetone 707.85
    n-hexadecane 161.6
    acetophenone 507.38
    methyl propionate 523.39
    isopentyl acetate 1015.35
    trichloroethylene 1945.09
    n-nonanol 717.32
    cyclohexanol 1268.71
    benzyl alcohol 457.43
    2-ethylhexanol 983.23
    isooctanol 585.16
    dipropyl ether 784.76
    1,2-dichlorobenzene 743.46
    ethyl lactate 309.96
    propylene carbonate 1007.34
    n-methylformamide 470.53
    2-pentanol 900.04
    n-pentane 496.39
    1-propoxy-2-propanol 1026.62
    1-methoxy-2-propyl acetate 676.17
    2-(2-methoxypropoxy) propanol 619.73
    mesitylene 327.54
    ε-caprolactone 1317.8
    p-cymene 359.54
    epichlorohydrin 1211.97
    1,1,1-trichloroethane 1489.19
    2-aminoethanol 458.36
    morpholine-4-carbaldehyde 1028.53
    sulfolane 1831.45
    2,2,4-trimethylpentane 254.22
    2-methyltetrahydrofuran 1689.57
    n-hexyl acetate 1259.84
    isooctane 210.86
    2-(2-butoxyethoxy)ethanol 796.21
    sec-butyl acetate 415.36
    tert-butyl acetate 710.05
    decalin 326.02
    glycerin 504.55
    diglyme 1145.74
    acrylic acid 758.77
    isopropyl myristate 462.59
    n-butyric acid 1273.53
    acetyl acetate 448.78
    di(2-ethylhexyl) phthalate 364.32
    ethyl propionate 435.24
    nitromethane 1064.26
    1,2-diethoxyethane 688.75
    benzonitrile 777.93
    trioctyl phosphate 329.21
    1-bromopropane 969.37
    gamma-valerolactone 1518.82
    n-decanol 510.85
    triethyl phosphate 298.7
    4-methyl-2-pentanol 565.96
    propionitrile 870.85
    vinylene carbonate 845.3
    1,1,2-trichlorotrifluoroethane 1025.34
    DMS 539.52
    cumene 348.09
    2-octanol 626.82
    2-hexanone 740.66
    octyl acetate 560.78
    limonene 651.56
    1,2-dimethoxyethane 957.12
    ethyl orthosilicate 313.36
    tributyl phosphate 388.43
    diacetone alcohol 750.51
    N,N-dimethylaniline 425.01
    acrylonitrile 809.71
    aniline 541.56
    1,3-propanediol 638.76
    bromobenzene 813.41
    dibromomethane 1460.44
    1,1,2,2-tetrachloroethane 1817.53
    2-methyl-cyclohexyl acetate 620.91
    tetrabutyl urea 464.16
    diisobutyl methanol 528.76
    2-phenylethanol 627.75
    styrene 436.39
    dioctyl adipate 545.58
    dimethyl sulfate 357.86
    ethyl butyrate 565.74
    methyl lactate 364.35
    butyl lactate 553.86
    diethyl carbonate 368.41
    propanediol butyl ether 808.09
    triethyl orthoformate 438.59
    p-tert-butyltoluene 354.18
    methyl 4-tert-butylbenzoate 610.12
    morpholine 1280.74
    tert-butylamine 1200.36
    n-dodecanol 389.38
    dimethoxymethane 478.89
    ethylene carbonate 693.57
    cyrene 457.16
    2-ethoxyethyl acetate 568.2
    2-ethylhexyl acetate 782.75
    1,2,4-trichlorobenzene 862.12
    4-methylpyridine 1012.43
    dibutyl ether 863.74
    2,6-dimethyl-4-heptanol 528.76
    DEF 768.27
    dimethyl isosorbide 885.79
    tetrachloroethylene 1236.7
    eugenol 542.39
    triacetin 735.9
    span 80 753.54
    1,4-butanediol 296.17
    1,1-dichloroethane 1401.93
    2-methyl-1-pentanol 718.88
    methyl formate 402.43
    2-methyl-1-butanol 1004.52
    n-decane 255.19
    butyronitrile 1020.94
    3,7-dimethyl-1-octanol 833.98
    1-chlorooctane 684.28
    1-chlorotetradecane 261.84
    n-nonane 293.55
    undecane 185.15
    tert-butylcyclohexane 379.06
    cyclooctane 254.62
    cyclopentanol 1275.55
    tetrahydropyran 1559.97
    tert-amyl methyl ether 877.12
    2,5,8-trioxanonane 757.4
    1-hexene 1253.95
    2-isopropoxyethanol 472.98
    2,2,2-trifluoroethanol 315.3
    methyl butyrate 646.23

    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