5-Nonanone

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  • Identifiers

    CAS number
    502-56-7

    Molecular formula
    C9H18O

    SMILES
    CCCCC(=O)CCCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 72.07%
    Herbal 71.84%
    Fruity 65.54%
    Earthy 45.32%
    Cheesy 43.18%
    Spicy 42.95%
    Oily 42.66%
    Sweet 41.04%
    Floral 40.87%
    Mushroom 36.99%

     

    Flavor
    Herbal 44.86%
    Fruity 41.71%
    Sweet 32.79%
    Green 27.51%
    Spicy 27.32%
    Fatty 26.19%
    Mushroom 25.66%
    Cheese 25.08%
    Fresh 24.54%
    Herb 21.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.86 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 21 °F (USCG, 1999)
    • -3.8 °C

    Boiling point

    • 370 °F at 760 mmHg (USCG, 1999)
    • 188.4 °C

    Flash point

    • 63.32 ˚C est.
    • 60 °C (closed cup)

    Solubility expt.

    • Soluble in ethanol; very soluble in ether and chloroform
    • In water, 363 mg/L at 30 °C

  • Synonyms

    • 5-Nonanone
    • Nonan-5-one
    • 502-56-7
    • DIBUTYL KETONE
    • Di-n-butyl ketone
    • Butyl ketone
    • 5-Oxononane
    • HSDB 921
    • di-n-Butylketone
    • UNII-V8B2Y1BZ3S
    • EINECS 207-946-5
    • NSC 14761
    • (n-C4H9)2CO
    • BRN 1743583
    • NSC-14761
    • V8B2Y1BZ3S
    • DIBUTYL KETONE [HSDB]
    • DTXSID7022045
    • 4-01-00-03355 (Beilstein Handbook Reference)
    • MFCD00009484
    • dibutylketon
    • dibutylketone
    • Dinbutyl ketone
    • 5Oxononane
    • n-butyl ketone
    • Nonan5one
    • S-NORANONE
    • 5-Nonanone, 98%
    • SCHEMBL106334
    • DTXCID402045
    • NSC14761
    • BBL011668
    • STK802501
    • AKOS005614442
    • CS-W018275
    • FN33834
    • AS-11652
    • N0294
    • NS00032022
    • E76084
    • EN300-220135
    • A828029
    • Q27291664

  • Applications

    5-Nonanone (CAS 502-56-7) is a medium-chain ketone commonly used as a fragrance ingredient in perfumery and personal care products, providing fruity and green notes; it also serves as a solvent or processing aid in coatings, inks, and adhesives; it functions as an organic synthesis intermediate for a range of chemical products; it may be used in flavor or aroma applications and can appear in household cleaners, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1751.05
    methanol 1684.0
    isopropanol 2156.87
    water 0.53
    ethyl acetate 1117.41
    n-propanol 1826.86
    acetone 1783.77
    n-butanol 1843.61
    acetonitrile 1338.14
    DMF 2074.39
    toluene 837.9
    isobutanol 1598.84
    1,4-dioxane 1919.77
    methyl acetate 999.19
    THF 2657.06
    2-butanone 1457.92
    n-pentanol 1151.97
    sec-butanol 1854.89
    n-hexane 1175.23
    ethylene glycol 242.97
    NMP 1613.38
    cyclohexane 1312.34
    DMSO 1279.23
    n-butyl acetate 1670.44
    n-octanol 897.14
    chloroform 5735.1
    n-propyl acetate 892.44
    acetic acid 1173.33
    dichloromethane 3564.28
    cyclohexanone 2663.85
    propylene glycol 516.27
    isopropyl acetate 811.6
    DMAc 1201.28
    2-ethoxyethanol 828.66
    isopentanol 1526.34
    n-heptane 706.55
    ethyl formate 877.01
    1,2-dichloroethane 1963.15
    n-hexanol 1822.15
    2-methoxyethanol 1419.01
    isobutyl acetate 658.72
    tetrachloromethane 1146.42
    n-pentyl acetate 1035.71
    transcutol 2184.46
    n-heptanol 825.84
    ethylbenzene 631.73
    MIBK 771.92
    2-propoxyethanol 1474.46
    tert-butanol 2291.49
    MTBE 1614.18
    2-butoxyethanol 988.11
    propionic acid 1223.74
    o-xylene 548.45
    formic acid 235.57
    diethyl ether 1367.67
    m-xylene 541.72
    p-xylene 837.26
    chlorobenzene 1437.55
    dimethyl carbonate 279.99
    n-octane 273.65
    formamide 284.21
    cyclopentanone 2500.31
    2-pentanone 1245.16
    anisole 839.69
    cyclopentyl methyl ether 1349.46
    gamma-butyrolactone 2185.63
    1-methoxy-2-propanol 1217.52
    pyridine 2366.33
    3-pentanone 868.24
    furfural 1876.77
    n-dodecane 172.16
    diethylene glycol 735.02
    diisopropyl ether 474.32
    tert-amyl alcohol 1725.15
    acetylacetone 1018.62
    n-hexadecane 197.48
    acetophenone 792.08
    methyl propionate 771.07
    isopentyl acetate 1464.88
    trichloroethylene 3878.54
    n-nonanol 769.73
    cyclohexanol 1908.27
    benzyl alcohol 725.2
    2-ethylhexanol 1176.38
    isooctanol 687.84
    dipropyl ether 1283.91
    1,2-dichlorobenzene 1209.88
    ethyl lactate 423.59
    propylene carbonate 1421.19
    n-methylformamide 878.54
    2-pentanol 1373.27
    n-pentane 710.49
    1-propoxy-2-propanol 1371.95
    1-methoxy-2-propyl acetate 901.33
    2-(2-methoxypropoxy) propanol 698.72
    mesitylene 400.0
    ε-caprolactone 1875.0
    p-cymene 485.26
    epichlorohydrin 1971.01
    1,1,1-trichloroethane 2597.92
    2-aminoethanol 642.17
    morpholine-4-carbaldehyde 1435.28
    sulfolane 2158.91
    2,2,4-trimethylpentane 237.4
    2-methyltetrahydrofuran 2274.06
    n-hexyl acetate 1353.22
    isooctane 199.52
    2-(2-butoxyethoxy)ethanol 950.72
    sec-butyl acetate 650.66
    tert-butyl acetate 818.47
    decalin 420.87
    glycerin 520.23
    diglyme 1602.59
    acrylic acid 949.87
    isopropyl myristate 560.13
    n-butyric acid 1992.9
    acetyl acetate 646.63
    di(2-ethylhexyl) phthalate 436.75
    ethyl propionate 722.44
    nitromethane 1226.04
    1,2-diethoxyethane 1161.15
    benzonitrile 1376.92
    trioctyl phosphate 352.79
    1-bromopropane 1962.68
    gamma-valerolactone 2271.54
    n-decanol 540.16
    triethyl phosphate 425.07
    4-methyl-2-pentanol 710.83
    propionitrile 1606.93
    vinylene carbonate 1248.43
    1,1,2-trichlorotrifluoroethane 1525.36
    DMS 652.39
    cumene 446.49
    2-octanol 703.04
    2-hexanone 1126.06
    octyl acetate 640.53
    limonene 806.66
    1,2-dimethoxyethane 1700.93
    ethyl orthosilicate 443.15
    tributyl phosphate 456.74
    diacetone alcohol 852.73
    N,N-dimethylaniline 610.2
    acrylonitrile 1576.72
    aniline 992.92
    1,3-propanediol 971.65
    bromobenzene 1629.46
    dibromomethane 2882.84
    1,1,2,2-tetrachloroethane 3533.23
    2-methyl-cyclohexyl acetate 783.25
    tetrabutyl urea 568.61
    diisobutyl methanol 680.73
    2-phenylethanol 825.81
    styrene 835.29
    dioctyl adipate 699.47
    dimethyl sulfate 413.17
    ethyl butyrate 1036.89
    methyl lactate 431.32
    butyl lactate 762.87
    diethyl carbonate 666.67
    propanediol butyl ether 901.94
    triethyl orthoformate 728.42
    p-tert-butyltoluene 466.84
    methyl 4-tert-butylbenzoate 702.91
    morpholine 2442.17
    tert-butylamine 1797.82
    n-dodecanol 413.17
    dimethoxymethane 783.02
    ethylene carbonate 1133.84
    cyrene 512.38
    2-ethoxyethyl acetate 830.15
    2-ethylhexyl acetate 1170.0
    1,2,4-trichlorobenzene 1284.02
    4-methylpyridine 2142.85
    dibutyl ether 1239.58
    2,6-dimethyl-4-heptanol 680.73
    DEF 1309.07
    dimethyl isosorbide 973.09
    tetrachloroethylene 2378.11
    eugenol 685.64
    triacetin 823.77
    span 80 887.74
    1,4-butanediol 421.32
    1,1-dichloroethane 2805.01
    2-methyl-1-pentanol 982.72
    methyl formate 606.45
    2-methyl-1-butanol 1366.63
    n-decane 315.9
    butyronitrile 2015.7
    3,7-dimethyl-1-octanol 883.17
    1-chlorooctane 822.61
    1-chlorotetradecane 316.99
    n-nonane 349.52
    undecane 222.52
    tert-butylcyclohexane 395.4
    cyclooctane 361.07
    cyclopentanol 1973.95
    tetrahydropyran 2937.05
    tert-amyl methyl ether 1031.28
    2,5,8-trioxanonane 1004.29
    1-hexene 1909.42
    2-isopropoxyethanol 700.95
    2,2,2-trifluoroethanol 335.23
    methyl butyrate 1185.1

    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