2-Methyl-4-heptanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    626-33-5

    Molecular formula
    C8H16O

    SMILES
    CCCC(=O)CC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 96.09%
    Green 76.34%
    Sweet 75.57%
    Herbal 57.35%
    Ethereal 56.88%
    Banana 53.37%
    Cheesy 53.35%
    Ketonic 50.9%
    Apple 46.15%
    Pungent 43.89%

     

    Flavor
    Fruity 85.33%
    Green 59.71%
    Sweet 58.46%
    Pineapple 58.45%
    Banana 44.03%
    Apple 40.37%
    Herbal 38.31%
    Tropical 35.91%
    Berry 35.31%
    Fruit 33.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.84 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 155 °C

    Flash point

    • 44.92 ˚C est.

  • Synonyms

    • 2-Methyl-4-heptanone
    • 2-Methylheptan-4-one
    • 626-33-5
    • 4-Heptanone, 2-methyl-
    • 9EPS3PVK5G
    • DTXSID4060816
    • RefChem:88131
    • DTXCID6043414
    • 210-943-1
    • Isobutyl propyl ketone
    • MFCD00027143
    • ISOBUTYL n-PROPYL KETONE
    • EINECS 210-943-1
    • AI3-28138
    • UNII-9EPS3PVK5G
    • SCHEMBL104701
    • SCHEMBL128865
    • SCHEMBL9530489
    • SCHEMBL22721287
    • SCHEMBL25401667
    • SCHEMBL25403796
    • SCHEMBL25404189
    • AKRJXOYALOGLHQ-UHFFFAOYSA-
    • LMFA12000100
    • AKOS009159339
    • LS-13505
    • DB-054224
    • CS-0454369
    • M0694
    • NS00035110
    • T72726
    • InChI=1/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
    • 626-33-5

  • Applications

    2-Methyl-4-heptanone is primarily used as a fragrance ingredient and odor component in perfumes and personal care products; it is evaluated for flavor applications in foods and beverages; it serves as an intermediate or precursor in the synthesis of other fragrance compounds; it may function as a solvent or processing aid in industrial fragrance formulations; and it appears as a fragrance component in household products such as floor cleaners and other cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1967.41
    methanol 2327.77
    isopropanol 1834.79
    water 3.64
    ethyl acetate 765.73
    n-propanol 1638.59
    acetone 1402.97
    n-butanol 1737.53
    acetonitrile 1329.59
    DMF 1083.94
    toluene 534.41
    isobutanol 1354.99
    1,4-dioxane 1717.29
    methyl acetate 658.09
    THF 2697.21
    2-butanone 928.29
    n-pentanol 1091.91
    sec-butanol 1525.08
    n-hexane 1134.39
    ethylene glycol 335.27
    NMP 1265.1
    cyclohexane 1358.15
    DMSO 922.12
    n-butyl acetate 1305.88
    n-octanol 1089.17
    chloroform 4000.52
    n-propyl acetate 589.89
    acetic acid 1619.54
    dichloromethane 2351.46
    cyclohexanone 2119.22
    propylene glycol 616.33
    isopropyl acetate 513.42
    DMAc 701.81
    2-ethoxyethanol 621.14
    isopentanol 1371.83
    n-heptane 936.18
    ethyl formate 743.05
    1,2-dichloroethane 1133.17
    n-hexanol 2216.04
    2-methoxyethanol 1227.49
    isobutyl acetate 458.44
    tetrachloromethane 767.81
    n-pentyl acetate 720.56
    transcutol 1734.6
    n-heptanol 866.19
    ethylbenzene 404.38
    MIBK 600.12
    2-propoxyethanol 1432.2
    tert-butanol 1894.54
    MTBE 1119.58
    2-butoxyethanol 753.51
    propionic acid 1071.99
    o-xylene 368.09
    formic acid 394.73
    diethyl ether 1160.5
    m-xylene 387.84
    p-xylene 557.38
    chlorobenzene 938.45
    dimethyl carbonate 198.33
    n-octane 262.95
    formamide 319.66
    cyclopentanone 1747.12
    2-pentanone 919.21
    anisole 541.35
    cyclopentyl methyl ether 1195.5
    gamma-butyrolactone 1705.61
    1-methoxy-2-propanol 919.31
    pyridine 1364.01
    3-pentanone 588.54
    furfural 1371.07
    n-dodecane 185.03
    diethylene glycol 770.07
    diisopropyl ether 421.11
    tert-amyl alcohol 1400.84
    acetylacetone 679.58
    n-hexadecane 205.14
    acetophenone 493.32
    methyl propionate 509.32
    isopentyl acetate 1155.22
    trichloroethylene 2228.32
    n-nonanol 838.81
    cyclohexanol 1787.21
    benzyl alcohol 558.23
    2-ethylhexanol 1297.44
    isooctanol 665.88
    dipropyl ether 1086.28
    1,2-dichlorobenzene 799.22
    ethyl lactate 301.26
    propylene carbonate 1145.41
    n-methylformamide 681.68
    2-pentanol 1196.54
    n-pentane 794.54
    1-propoxy-2-propanol 1208.44
    1-methoxy-2-propyl acetate 681.52
    2-(2-methoxypropoxy) propanol 649.68
    mesitylene 301.75
    ε-caprolactone 1485.62
    p-cymene 432.33
    epichlorohydrin 1446.13
    1,1,1-trichloroethane 1512.13
    2-aminoethanol 704.43
    morpholine-4-carbaldehyde 1095.21
    sulfolane 1671.57
    2,2,4-trimethylpentane 261.02
    2-methyltetrahydrofuran 1961.46
    n-hexyl acetate 1280.3
    isooctane 233.25
    2-(2-butoxyethoxy)ethanol 870.99
    sec-butyl acetate 390.69
    tert-butyl acetate 599.12
    decalin 391.14
    glycerin 610.6
    diglyme 1235.02
    acrylic acid 822.04
    isopropyl myristate 506.54
    n-butyric acid 1794.16
    acetyl acetate 476.88
    di(2-ethylhexyl) phthalate 415.47
    ethyl propionate 439.44
    nitromethane 1298.1
    1,2-diethoxyethane 761.17
    benzonitrile 999.07
    trioctyl phosphate 365.01
    1-bromopropane 1184.41
    gamma-valerolactone 1747.31
    n-decanol 591.21
    triethyl phosphate 326.25
    4-methyl-2-pentanol 611.41
    propionitrile 1157.24
    vinylene carbonate 990.72
    1,1,2-trichlorotrifluoroethane 1158.61
    DMS 479.36
    cumene 329.3
    2-octanol 717.12
    2-hexanone 814.33
    octyl acetate 637.46
    limonene 789.71
    1,2-dimethoxyethane 1269.36
    ethyl orthosilicate 330.14
    tributyl phosphate 435.66
    diacetone alcohol 691.66
    N,N-dimethylaniline 411.71
    acrylonitrile 1047.62
    aniline 664.22
    1,3-propanediol 949.61
    bromobenzene 986.63
    dibromomethane 2012.89
    1,1,2,2-tetrachloroethane 2042.69
    2-methyl-cyclohexyl acetate 704.75
    tetrabutyl urea 537.65
    diisobutyl methanol 645.96
    2-phenylethanol 765.74
    styrene 492.11
    dioctyl adipate 629.64
    dimethyl sulfate 308.24
    ethyl butyrate 727.82
    methyl lactate 349.55
    butyl lactate 585.06
    diethyl carbonate 449.92
    propanediol butyl ether 880.55
    triethyl orthoformate 521.46
    p-tert-butyltoluene 409.8
    methyl 4-tert-butylbenzoate 605.23
    morpholine 1906.12
    tert-butylamine 1591.52
    n-dodecanol 460.15
    dimethoxymethane 617.23
    ethylene carbonate 846.76
    cyrene 485.2
    2-ethoxyethyl acetate 597.66
    2-ethylhexyl acetate 894.27
    1,2,4-trichlorobenzene 835.38
    4-methylpyridine 1313.85
    dibutyl ether 1025.14
    2,6-dimethyl-4-heptanol 645.96
    DEF 772.38
    dimethyl isosorbide 990.0
    tetrachloroethylene 1362.15
    eugenol 546.51
    triacetin 725.98
    span 80 868.2
    1,4-butanediol 403.95
    1,1-dichloroethane 1547.32
    2-methyl-1-pentanol 909.35
    methyl formate 530.12
    2-methyl-1-butanol 1242.09
    n-decane 320.78
    butyronitrile 1688.21
    3,7-dimethyl-1-octanol 865.0
    1-chlorooctane 755.22
    1-chlorotetradecane 310.21
    n-nonane 374.11
    undecane 229.43
    tert-butylcyclohexane 383.9
    cyclooctane 398.0
    cyclopentanol 1694.24
    tetrahydropyran 2417.56
    tert-amyl methyl ether 754.13
    2,5,8-trioxanonane 877.28
    1-hexene 1595.95
    2-isopropoxyethanol 505.28
    2,2,2-trifluoroethanol 376.04
    methyl butyrate 726.29

    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