1-Undecen-3-one

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  • Identifiers

    CAS number
    42832-47-3

    Molecular formula
    C11H20O

    SMILES
    CCCCCCCCC(=O)C=C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 47.66%
    Earthy 47.63%
    Mushroom 47.44%
    Metallic 43.04%
    Herbal 42.67%
    Green 40.69%
    Fruity 36.49%
    Fresh 35.32%
    Cheesy 35.12%
    Citrus 34.68%

     

    Flavor
    Herbal 58.67%
    Fruity 46.95%
    Fatty 35.68%
    Waxy 34.63%
    Mushroom 34.02%
    Oily 32.99%
    Green 32.53%
    Fresh 31.07%
    Earthy 30.37%
    Spicy 30.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.32 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 82.13 ˚C est.

  • Synonyms

    • 1-Undecen-3-one
    • octyl vinyl ketone
    • 42832-47-3
    • 1-Undec-3-one
    • N6ZJE233VS
    • EINECS 255-961-0
    • N-OCTYL VINYL KETONE
    • DTXSID2068420
    • RefChem:77320
    • DTXCID5040170
    • 255-961-0
    • undec-1-en-3-one
    • UNII-N6ZJE233VS
    • SCHEMBL872361
    • SCHEMBL19921866
    • ADDGAKQSFRASOV-UHFFFAOYSA-N
    • MFCD02259812
    • SY504294
    • NS00031249
    • 42832-47-3

  • Applications

    1-Undecen-3-one (CAS 42832-47-3) is an aliphatic enone ketone that serves mainly as an organic-synthesis intermediate. Owing to its enone functionality and long aliphatic chain, it can participate in conjugate additions and other transformations to build more complex molecules for pharmaceuticals or agrochemicals. It may be used in perfumery and cosmetics as a fragrance ingredient or intermediate, potentially functioning as a fixative to extend fragrance longevity. It can act as a building block for specialty polymers or coatings in industrial manufacturing, and it may serve as a precursor in the synthesis of polymeric materials. Additionally, it may be evaluated as an intermediate for the synthesis of other chemicals used in pharmaceuticals or agricultural chemistries, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3418.51
    methanol 2632.98
    isopropanol 3562.16
    water 0.02
    ethyl acetate 5870.94
    n-propanol 3194.12
    acetone 7191.8
    n-butanol 3206.9
    acetonitrile 3158.68
    DMF 3285.07
    toluene 1756.65
    isobutanol 2457.14
    1,4-dioxane 3922.68
    methyl acetate 3383.32
    THF 6801.22
    2-butanone 6111.39
    n-pentanol 2326.49
    sec-butanol 3264.31
    n-hexane 2563.29
    ethylene glycol 126.65
    NMP 2349.76
    cyclohexane 1964.38
    DMSO 3846.2
    n-butyl acetate 5946.97
    n-octanol 1028.79
    chloroform 5128.44
    n-propyl acetate 4084.37
    acetic acid 1344.34
    dichloromethane 5547.86
    cyclohexanone 7032.3
    propylene glycol 342.34
    isopropyl acetate 3580.33
    DMAc 2054.57
    2-ethoxyethanol 1810.42
    isopentanol 3051.48
    n-heptane 907.54
    ethyl formate 1737.65
    1,2-dichloroethane 4433.26
    n-hexanol 3030.52
    2-methoxyethanol 2603.47
    isobutyl acetate 2055.39
    tetrachloromethane 1006.97
    n-pentyl acetate 2453.74
    transcutol 7509.76
    n-heptanol 961.59
    ethylbenzene 1163.56
    MIBK 2627.62
    2-propoxyethanol 3053.84
    tert-butanol 4211.08
    MTBE 6011.41
    2-butoxyethanol 1424.04
    propionic acid 1538.53
    o-xylene 946.17
    formic acid 162.85
    diethyl ether 7190.72
    m-xylene 1138.29
    p-xylene 1331.82
    chlorobenzene 2037.41
    dimethyl carbonate 466.45
    n-octane 283.51
    formamide 321.69
    cyclopentanone 5209.37
    2-pentanone 5713.41
    anisole 1564.52
    cyclopentyl methyl ether 4550.84
    gamma-butyrolactone 4053.54
    1-methoxy-2-propanol 2474.38
    pyridine 4074.04
    3-pentanone 3307.55
    furfural 2429.51
    n-dodecane 123.26
    diethylene glycol 1005.35
    diisopropyl ether 1961.45
    tert-amyl alcohol 3388.3
    acetylacetone 3318.29
    n-hexadecane 150.32
    acetophenone 1333.34
    methyl propionate 2829.3
    isopentyl acetate 4331.36
    trichloroethylene 6259.32
    n-nonanol 862.6
    cyclohexanol 2998.55
    benzyl alcohol 1033.38
    2-ethylhexanol 2194.18
    isooctanol 867.88
    dipropyl ether 4140.55
    1,2-dichlorobenzene 1643.02
    ethyl lactate 675.65
    propylene carbonate 2082.39
    n-methylformamide 1263.61
    2-pentanol 2870.09
    n-pentane 1097.02
    1-propoxy-2-propanol 2984.78
    1-methoxy-2-propyl acetate 2923.1
    2-(2-methoxypropoxy) propanol 1211.92
    mesitylene 749.72
    ε-caprolactone 4391.7
    p-cymene 689.27
    epichlorohydrin 4609.86
    1,1,1-trichloroethane 4409.29
    2-aminoethanol 489.52
    morpholine-4-carbaldehyde 2298.53
    sulfolane 3620.5
    2,2,4-trimethylpentane 342.82
    2-methyltetrahydrofuran 6807.69
    n-hexyl acetate 2759.71
    isooctane 323.91
    2-(2-butoxyethoxy)ethanol 1754.9
    sec-butyl acetate 2527.18
    tert-butyl acetate 3169.81
    decalin 616.22
    glycerin 349.25
    diglyme 3229.2
    acrylic acid 811.1
    isopropyl myristate 849.38
    n-butyric acid 3615.34
    acetyl acetate 1775.18
    di(2-ethylhexyl) phthalate 521.29
    ethyl propionate 2882.95
    nitromethane 2412.87
    1,2-diethoxyethane 4868.0
    benzonitrile 1870.3
    trioctyl phosphate 429.94
    1-bromopropane 4672.14
    gamma-valerolactone 4816.33
    n-decanol 595.97
    triethyl phosphate 703.99
    4-methyl-2-pentanol 1386.8
    propionitrile 3194.56
    vinylene carbonate 1562.58
    1,1,2-trichlorotrifluoroethane 1952.84
    DMS 1278.96
    cumene 671.93
    2-octanol 857.89
    2-hexanone 4234.14
    octyl acetate 949.5
    limonene 1406.53
    1,2-dimethoxyethane 4394.69
    ethyl orthosilicate 764.59
    tributyl phosphate 649.22
    diacetone alcohol 2148.05
    N,N-dimethylaniline 900.84
    acrylonitrile 2527.73
    aniline 1542.96
    1,3-propanediol 1077.77
    bromobenzene 2364.94
    dibromomethane 4688.65
    1,1,2,2-tetrachloroethane 4828.55
    2-methyl-cyclohexyl acetate 1587.26
    tetrabutyl urea 773.03
    diisobutyl methanol 1148.76
    2-phenylethanol 1276.4
    styrene 1542.48
    dioctyl adipate 1007.34
    dimethyl sulfate 696.2
    ethyl butyrate 3236.9
    methyl lactate 594.92
    butyl lactate 1228.32
    diethyl carbonate 1426.51
    propanediol butyl ether 1055.27
    triethyl orthoformate 1643.53
    p-tert-butyltoluene 651.63
    methyl 4-tert-butylbenzoate 935.45
    morpholine 5532.97
    tert-butylamine 2909.04
    n-dodecanol 437.27
    dimethoxymethane 2365.66
    ethylene carbonate 1560.78
    cyrene 735.34
    2-ethoxyethyl acetate 2298.2
    2-ethylhexyl acetate 3313.01
    1,2,4-trichlorobenzene 1705.41
    4-methylpyridine 4514.7
    dibutyl ether 3430.42
    2,6-dimethyl-4-heptanol 1148.76
    DEF 4264.61
    dimethyl isosorbide 1925.0
    tetrachloroethylene 3084.34
    eugenol 858.98
    triacetin 1439.27
    span 80 1149.99
    1,4-butanediol 389.77
    1,1-dichloroethane 5405.34
    2-methyl-1-pentanol 2177.08
    methyl formate 802.45
    2-methyl-1-butanol 2598.47
    n-decane 283.98
    butyronitrile 4213.82
    3,7-dimethyl-1-octanol 1248.7
    1-chlorooctane 1063.93
    1-chlorotetradecane 315.36
    n-nonane 337.18
    undecane 174.92
    tert-butylcyclohexane 584.44
    cyclooctane 535.02
    cyclopentanol 2441.68
    tetrahydropyran 8247.24
    tert-amyl methyl ether 3430.28
    2,5,8-trioxanonane 1838.22
    1-hexene 5890.74
    2-isopropoxyethanol 1584.42
    2,2,2-trifluoroethanol 245.3
    methyl butyrate 4133.24

    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