5-Undecanone

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  • Identifiers

    CAS number
    33083-83-9

    Molecular formula
    C11H22O

    SMILES
    CCCCCCC(=O)CCCC

  • Odor profile

    Fragrance
    Herbal 60.77%
    Fruity 57.26%
    Green 54.25%
    Fatty 50.15%
    Oily 48.02%
    Floral 46.47%
    Earthy 46.38%
    Waxy 43.66%
    Mushroom 43.04%
    Spicy 40.95%

     

    Flavor
    Herbal 54.19%
    Fruity 38.99%
    Fatty 35.04%
    Fresh 34.65%
    Mushroom 32.25%
    Spicy 30.34%
    Green 30.24%
    Waxy 28.37%
    Sweet 27.42%
    Floral 26.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.62 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 85.73 ˚C est.

  • Synonyms

    • 5-Undecanone
    • Undecan-5-one
    • 33083-83-9
    • Butyl hexyl ketone
    • 0HA3U4E7AN
    • EINECS 251-371-2
    • NSC-158513
    • DTXSID70186744
    • NSC 158513
    • n-BUTYL n-HEXYL KETONE
    • Undecan5one
    • Di-n-Pentyl ketone
    • NSC158513
    • UNII-0HA3U4E7AN
    • SCHEMBL531685
    • DTXCID10109235
    • MFCD00048899
    • DB-242674
    • CS-0451142
    • NS00029417
    • U0042
    • D92759
    • Q63395568

  • Applications

    5-Undecanone (CAS 33083-83-9) is a higher-chain ketone primarily used as an odor-active ingredient in perfumery to impart waxy/amber notes and often act as a fragrance fixative. It may be used as a synthetic flavor ingredient or aroma chemical in flavor formulations, contributing aroma notes at permitted levels. In cosmetics and personal care, it serves as a fragrance component in products such as soaps, shampoos, and moisturizers. In household products, it is used as a fragrance additive in cleaners, air fresheners, and detergents to provide a lasting scent. In industrial manufacturing, it can function as an intermediate for the synthesis of other aroma compounds and fragrances, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11335.33
    methanol 9767.16
    isopropanol 12821.58
    water 0.16
    ethyl acetate 11222.86
    n-propanol 10234.98
    acetone 19082.56
    n-butanol 9874.67
    acetonitrile 10631.3
    DMF 10157.67
    toluene 4239.56
    isobutanol 8743.63
    1,4-dioxane 10035.59
    methyl acetate 7184.14
    THF 13215.37
    2-butanone 11954.96
    n-pentanol 5877.66
    sec-butanol 10129.86
    n-hexane 7542.72
    ethylene glycol 624.54
    NMP 5697.57
    cyclohexane 6501.04
    DMSO 8622.65
    n-butyl acetate 11693.47
    n-octanol 2930.29
    chloroform 17365.74
    n-propyl acetate 7580.45
    acetic acid 4905.1
    dichloromethane 13695.02
    cyclohexanone 16237.54
    propylene glycol 1468.19
    isopropyl acetate 7174.58
    DMAc 4848.05
    2-ethoxyethanol 4160.08
    isopentanol 8654.44
    n-heptane 2573.96
    ethyl formate 5084.75
    1,2-dichloroethane 10352.68
    n-hexanol 7468.24
    2-methoxyethanol 7265.77
    isobutyl acetate 4041.94
    tetrachloromethane 3699.56
    n-pentyl acetate 5351.49
    transcutol 13414.46
    n-heptanol 2660.72
    ethylbenzene 2667.25
    MIBK 5347.68
    2-propoxyethanol 6710.18
    tert-butanol 12725.32
    MTBE 13658.69
    2-butoxyethanol 3657.49
    propionic acid 5328.96
    o-xylene 2263.72
    formic acid 757.95
    diethyl ether 14686.89
    m-xylene 2389.42
    p-xylene 3375.58
    chlorobenzene 5550.78
    dimethyl carbonate 1178.77
    n-octane 842.16
    formamide 1264.04
    cyclopentanone 11665.04
    2-pentanone 11653.46
    anisole 3513.09
    cyclopentyl methyl ether 8678.85
    gamma-butyrolactone 9157.06
    1-methoxy-2-propanol 6136.32
    pyridine 11413.89
    3-pentanone 6527.66
    furfural 6244.44
    n-dodecane 361.1
    diethylene glycol 2630.5
    diisopropyl ether 4081.86
    tert-amyl alcohol 9392.64
    acetylacetone 6956.08
    n-hexadecane 436.37
    acetophenone 2959.43
    methyl propionate 5569.7
    isopentyl acetate 8609.57
    trichloroethylene 15856.37
    n-nonanol 2339.46
    cyclohexanol 9466.71
    benzyl alcohol 2575.85
    2-ethylhexanol 5079.07
    isooctanol 2282.26
    dipropyl ether 8376.64
    1,2-dichlorobenzene 4277.22
    ethyl lactate 1592.26
    propylene carbonate 4922.02
    n-methylformamide 4457.44
    2-pentanol 7997.67
    n-pentane 3493.69
    1-propoxy-2-propanol 6470.81
    1-methoxy-2-propyl acetate 4942.44
    2-(2-methoxypropoxy) propanol 2404.41
    mesitylene 1658.33
    ε-caprolactone 9924.59
    p-cymene 1598.34
    epichlorohydrin 9286.11
    1,1,1-trichloroethane 11598.0
    2-aminoethanol 2146.49
    morpholine-4-carbaldehyde 5679.92
    sulfolane 8044.66
    2,2,4-trimethylpentane 859.36
    2-methyltetrahydrofuran 13415.03
    n-hexyl acetate 6238.42
    isooctane 783.71
    2-(2-butoxyethoxy)ethanol 3760.99
    sec-butyl acetate 4807.87
    tert-butyl acetate 6196.6
    decalin 1679.49
    glycerin 1433.66
    diglyme 6957.1
    acrylic acid 3191.54
    isopropyl myristate 1882.66
    n-butyric acid 11169.85
    acetyl acetate 4090.51
    di(2-ethylhexyl) phthalate 1186.94
    ethyl propionate 5586.21
    nitromethane 7427.8
    1,2-diethoxyethane 8193.53
    benzonitrile 5385.73
    trioctyl phosphate 1022.2
    1-bromopropane 10516.51
    gamma-valerolactone 11490.35
    n-decanol 1520.06
    triethyl phosphate 1402.78
    4-methyl-2-pentanol 3491.74
    propionitrile 9391.39
    vinylene carbonate 4139.31
    1,1,2-trichlorotrifluoroethane 5454.71
    DMS 2581.89
    cumene 1590.93
    2-octanol 2368.21
    2-hexanone 8201.63
    octyl acetate 2111.36
    limonene 3159.99
    1,2-dimethoxyethane 10195.36
    ethyl orthosilicate 1541.0
    tributyl phosphate 1439.38
    diacetone alcohol 4569.84
    N,N-dimethylaniline 2096.93
    acrylonitrile 7868.76
    aniline 4490.05
    1,3-propanediol 3956.07
    bromobenzene 6138.41
    dibromomethane 11831.43
    1,1,2,2-tetrachloroethane 13171.08
    2-methyl-cyclohexyl acetate 2969.43
    tetrabutyl urea 1755.94
    diisobutyl methanol 2540.59
    2-phenylethanol 2941.29
    styrene 3847.11
    dioctyl adipate 2207.16
    dimethyl sulfate 1615.2
    ethyl butyrate 6183.18
    methyl lactate 1567.48
    butyl lactate 3003.14
    diethyl carbonate 2753.42
    propanediol butyl ether 2942.05
    triethyl orthoformate 3356.93
    p-tert-butyltoluene 1464.61
    methyl 4-tert-butylbenzoate 2052.96
    morpholine 14053.45
    tert-butylamine 9495.48
    n-dodecanol 1093.8
    dimethoxymethane 5025.19
    ethylene carbonate 4378.51
    cyrene 1465.88
    2-ethoxyethyl acetate 4392.4
    2-ethylhexyl acetate 6441.03
    1,2,4-trichlorobenzene 4312.87
    4-methylpyridine 10864.01
    dibutyl ether 7521.31
    2,6-dimethyl-4-heptanol 2540.59
    DEF 9619.45
    dimethyl isosorbide 3276.36
    tetrachloroethylene 9200.96
    eugenol 1958.95
    triacetin 3038.24
    span 80 2669.83
    1,4-butanediol 1353.51
    1,1-dichloroethane 14097.05
    2-methyl-1-pentanol 4945.14
    methyl formate 2645.53
    2-methyl-1-butanol 7524.81
    n-decane 824.84
    butyronitrile 12245.54
    3,7-dimethyl-1-octanol 3019.43
    1-chlorooctane 2688.45
    1-chlorotetradecane 818.51
    n-nonane 1001.7
    undecane 513.77
    tert-butylcyclohexane 1510.26
    cyclooctane 1510.72
    cyclopentanol 8038.07
    tetrahydropyran 19424.03
    tert-amyl methyl ether 7138.19
    2,5,8-trioxanonane 3625.36
    1-hexene 13954.65
    2-isopropoxyethanol 3494.02
    2,2,2-trifluoroethanol 1078.15
    methyl butyrate 8792.92

    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