3-Undecanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2216-87-7

    Molecular formula
    C11H22O

    SMILES
    CCCCCCCCC(=O)CC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 73.29%
    Floral 71.92%
    Fatty 70.09%
    Waxy 68.29%
    Green 57.24%
    Citrus 54.94%
    Orange 54.37%
    Fresh 52.58%
    Sweet 49.8%
    Oily 47.99%

     

    Flavor
    Fruity 64.73%
    Floral 64.63%
    Waxy 63.67%
    Fresh 58.54%
    Green 58.05%
    Herbal 54.72%
    Orange 51.64%
    Citrus 51.38%
    Sweet 49.53%
    Fatty 48.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.85 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 82.34 ˚C est.

  • Synonyms

    • 3-Undecanone
    • Undecan-3-one
    • 2216-87-7
    • Ethyl octyl ketone
    • ETHYL n-OCTYL KETONE
    • EINECS 218-700-1
    • DTXSID20176695
    • NSC 158429
    • Undecan3one
    • undecan-9-one
    • SCHEMBL888107
    • DTXCID2099186
    • SCHEMBL11024619
    • CAA21687
    • LMFA12000060
    • NSC158429
    • AKOS009158546
    • NSC-158429
    • DB-045827
    • CS-0449664
    • NS00050135
    • U0029
    • D92753
    • Q63396315
    • 218-700-1

  • Applications

    3-Undecanone (CAS number: 2216-87-7) is primarily used as a fragrance ingredient in perfumery, contributing woody, green and spicy notes and may function as a fixative to help stabilize and extend fragrance release; it is sometimes considered for flavor applications in select formulations where permitted, and in cosmetics and personal care it appears as a fragrance component in products such as soaps, lotions and deodorants; in household and cleaning products it can act as an odorant to impart a fresh or green scent, and in industrial manufacturing it may serve as an intermediate for the synthesis of other aroma compounds or specialty fragrance ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14862.98
    methanol 11962.46
    isopropanol 16131.64
    water 0.13
    ethyl acetate 15943.25
    n-propanol 13232.32
    acetone 23479.43
    n-butanol 12026.02
    acetonitrile 13689.73
    DMF 9177.51
    toluene 4602.39
    isobutanol 10120.75
    1,4-dioxane 13059.64
    methyl acetate 9683.93
    THF 16076.75
    2-butanone 15389.99
    n-pentanol 7703.71
    sec-butanol 12404.33
    n-hexane 7896.91
    ethylene glycol 565.13
    NMP 5263.01
    cyclohexane 6447.91
    DMSO 9199.11
    n-butyl acetate 14775.53
    n-octanol 3320.6
    chloroform 19222.63
    n-propyl acetate 11286.58
    acetic acid 5185.67
    dichloromethane 16585.85
    cyclohexanone 18077.34
    propylene glycol 1441.65
    isopropyl acetate 9960.54
    DMAc 5101.07
    2-ethoxyethanol 5999.87
    isopentanol 10741.76
    n-heptane 2909.68
    ethyl formate 6204.58
    1,2-dichloroethane 11929.17
    n-hexanol 8415.61
    2-methoxyethanol 9027.48
    isobutyl acetate 5454.82
    tetrachloromethane 3970.82
    n-pentyl acetate 6966.22
    transcutol 18255.09
    n-heptanol 3165.05
    ethylbenzene 2885.74
    MIBK 6713.59
    2-propoxyethanol 8405.7
    tert-butanol 16564.57
    MTBE 18579.6
    2-butoxyethanol 4462.66
    propionic acid 5819.93
    o-xylene 2345.26
    formic acid 714.66
    diethyl ether 21765.23
    m-xylene 2538.33
    p-xylene 3562.38
    chlorobenzene 5690.96
    dimethyl carbonate 1160.09
    n-octane 907.57
    formamide 1282.23
    cyclopentanone 12233.34
    2-pentanone 14417.42
    anisole 4120.73
    cyclopentyl methyl ether 10438.94
    gamma-butyrolactone 9722.91
    1-methoxy-2-propanol 7555.93
    pyridine 12809.34
    3-pentanone 7959.79
    furfural 6240.26
    n-dodecane 364.93
    diethylene glycol 2923.27
    diisopropyl ether 5555.16
    tert-amyl alcohol 11672.85
    acetylacetone 8555.16
    n-hexadecane 439.53
    acetophenone 3384.02
    methyl propionate 6918.0
    isopentyl acetate 10690.36
    trichloroethylene 16825.11
    n-nonanol 2681.58
    cyclohexanol 10406.77
    benzyl alcohol 2859.24
    2-ethylhexanol 6096.4
    isooctanol 2752.24
    dipropyl ether 11582.44
    1,2-dichlorobenzene 4216.81
    ethyl lactate 1873.42
    propylene carbonate 5164.49
    n-methylformamide 4681.5
    2-pentanol 9392.93
    n-pentane 3770.59
    1-propoxy-2-propanol 8056.16
    1-methoxy-2-propyl acetate 6463.66
    2-(2-methoxypropoxy) propanol 2659.06
    mesitylene 1664.98
    ε-caprolactone 12125.61
    p-cymene 1718.89
    epichlorohydrin 11195.83
    1,1,1-trichloroethane 12881.14
    2-aminoethanol 2247.58
    morpholine-4-carbaldehyde 6639.83
    sulfolane 7791.91
    2,2,4-trimethylpentane 952.19
    2-methyltetrahydrofuran 17776.29
    n-hexyl acetate 7461.99
    isooctane 864.05
    2-(2-butoxyethoxy)ethanol 4318.87
    sec-butyl acetate 6837.96
    tert-butyl acetate 8404.89
    decalin 1724.31
    glycerin 1327.08
    diglyme 8405.41
    acrylic acid 3026.18
    isopropyl myristate 2030.91
    n-butyric acid 12849.06
    acetyl acetate 5005.17
    di(2-ethylhexyl) phthalate 1194.78
    ethyl propionate 7746.33
    nitromethane 8612.99
    1,2-diethoxyethane 12636.46
    benzonitrile 5765.36
    trioctyl phosphate 1036.48
    1-bromopropane 12948.94
    gamma-valerolactone 13239.9
    n-decanol 1673.88
    triethyl phosphate 1649.88
    4-methyl-2-pentanol 4123.71
    propionitrile 11438.46
    vinylene carbonate 4234.69
    1,1,2-trichlorotrifluoroethane 5802.06
    DMS 2773.07
    cumene 1675.96
    2-octanol 2740.45
    2-hexanone 10745.21
    octyl acetate 2293.58
    limonene 3516.27
    1,2-dimethoxyethane 13932.8
    ethyl orthosilicate 1871.14
    tributyl phosphate 1514.51
    diacetone alcohol 5621.44
    N,N-dimethylaniline 2293.63
    acrylonitrile 9138.46
    aniline 5011.11
    1,3-propanediol 4403.27
    bromobenzene 6305.07
    dibromomethane 14068.27
    1,1,2,2-tetrachloroethane 13882.62
    2-methyl-cyclohexyl acetate 3515.23
    tetrabutyl urea 1801.65
    diisobutyl methanol 2985.81
    2-phenylethanol 3196.84
    styrene 4212.18
    dioctyl adipate 2354.0
    dimethyl sulfate 1496.99
    ethyl butyrate 8303.36
    methyl lactate 1639.09
    butyl lactate 3384.17
    diethyl carbonate 3549.48
    propanediol butyl ether 3177.16
    triethyl orthoformate 4381.33
    p-tert-butyltoluene 1574.84
    methyl 4-tert-butylbenzoate 2107.04
    morpholine 18399.13
    tert-butylamine 12249.73
    n-dodecanol 1166.16
    dimethoxymethane 5914.31
    ethylene carbonate 4713.88
    cyrene 1507.74
    2-ethoxyethyl acetate 5929.76
    2-ethylhexyl acetate 7974.06
    1,2,4-trichlorobenzene 4289.52
    4-methylpyridine 12810.27
    dibutyl ether 9712.46
    2,6-dimethyl-4-heptanol 2985.81
    DEF 11587.28
    dimethyl isosorbide 3651.36
    tetrachloroethylene 9629.52
    eugenol 1996.05
    triacetin 3308.7
    span 80 2801.41
    1,4-butanediol 1471.95
    1,1-dichloroethane 16131.63
    2-methyl-1-pentanol 6391.86
    methyl formate 2658.14
    2-methyl-1-butanol 9142.28
    n-decane 887.13
    butyronitrile 14948.68
    3,7-dimethyl-1-octanol 3533.26
    1-chlorooctane 3053.37
    1-chlorotetradecane 846.07
    n-nonane 1086.94
    undecane 523.77
    tert-butylcyclohexane 1671.23
    cyclooctane 1520.31
    cyclopentanol 8470.28
    tetrahydropyran 24479.23
    tert-amyl methyl ether 9553.12
    2,5,8-trioxanonane 4108.46
    1-hexene 17441.74
    2-isopropoxyethanol 4975.85
    2,2,2-trifluoroethanol 995.8
    methyl butyrate 11794.97

    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