cis-Tridec-5-en-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    57782-14-6

    SMILES
    CCCCCCC\C=C/CCC(C)=O

  • Odor profile

    Fragrance
    Fruity 85.09%
    Fatty 71.05%
    Waxy 60.14%
    Floral 51.49%
    Dairy 44.03%
    Citrus 43.18%
    Oily 43.18%
    Green 42.93%
    Herbal 42.37%
    Jasmin 38.91%

     

    Flavor
    Floral 46.91%
    Fruity 44.92%
    Waxy 37.51%
    Citrus 35.6%
    Fresh 34.7%
    Fatty 33.47%
    Orange 30.59%
    Oily 25.43%
    Herbal 23.67%
    Rose 23.64%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.39 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 109.78 ˚C est.

  • Applications

    cis-Tridec-5-en-2-one (CAS 57782-14-6) is a linear unsaturated enone used mainly in research and analytical settings; typical applications include: (i) a semiochemical/experimental pheromone component in integrated pest management to attract, monitor, and trap certain insect species—often deployed in blends with related compounds to enhance specificity; (ii) a GC–MS/LC–MS reference standard for method development, recovery studies, carryover control, and spectral confirmation, and as a retention-behavior reference for medium-chain unsaturated ketones; (iii) a model substrate for conjugate (Michael) addition, selective hydrogenation, epoxidation/ozonolysis, and stereochemical transformations, enabling catalyst screening and kinetics studies; (iv) investigations of environmental fate and atmospheric oxidation, odor/sensor calibration, and the design of controlled-release formulations for lures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3577.68
    methanol 2632.77
    isopropanol 3458.44
    water 0.03
    ethyl acetate 3491.67
    n-propanol 3065.51
    acetone 4172.26
    n-butanol 3002.92
    acetonitrile 1949.53
    DMF 1610.8
    toluene 1391.05
    isobutanol 2175.28
    1,4-dioxane 4293.54
    methyl acetate 2068.26
    THF 5668.23
    2-butanone 3434.58
    n-pentanol 2301.41
    sec-butanol 3182.52
    n-hexane 2517.59
    ethylene glycol 169.62
    NMP 1201.94
    cyclohexane 2288.78
    DMSO 2652.93
    n-butyl acetate 2839.15
    n-octanol 894.95
    chloroform 4463.04
    n-propyl acetate 2443.7
    acetic acid 997.63
    dichloromethane 3979.57
    cyclohexanone 3701.4
    propylene glycol 523.74
    isopropyl acetate 2364.68
    DMAc 1419.3
    2-ethoxyethanol 2012.65
    isopentanol 2706.17
    n-heptane 933.06
    ethyl formate 970.85
    1,2-dichloroethane 3075.66
    n-hexanol 2573.35
    2-methoxyethanol 2561.77
    isobutyl acetate 1367.4
    tetrachloromethane 882.49
    n-pentyl acetate 1511.83
    transcutol 7157.98
    n-heptanol 843.85
    ethylbenzene 840.53
    MIBK 1894.08
    2-propoxyethanol 2689.52
    tert-butanol 4085.38
    MTBE 5099.96
    2-butoxyethanol 1230.5
    propionic acid 1099.99
    o-xylene 731.71
    formic acid 141.1
    diethyl ether 6630.72
    m-xylene 854.79
    p-xylene 916.96
    chlorobenzene 1206.44
    dimethyl carbonate 282.55
    n-octane 243.36
    formamide 220.62
    cyclopentanone 2637.63
    2-pentanone 3518.93
    anisole 1164.98
    cyclopentyl methyl ether 3585.07
    gamma-butyrolactone 1995.69
    1-methoxy-2-propanol 2324.84
    pyridine 2739.72
    3-pentanone 2097.29
    furfural 1284.2
    n-dodecane 105.88
    diethylene glycol 972.34
    diisopropyl ether 1692.08
    tert-amyl alcohol 3243.28
    acetylacetone 2031.65
    n-hexadecane 126.22
    acetophenone 873.55
    methyl propionate 1661.99
    isopentyl acetate 2407.7
    trichloroethylene 3713.76
    n-nonanol 755.95
    cyclohexanol 2679.18
    benzyl alcohol 858.92
    2-ethylhexanol 1759.04
    isooctanol 788.22
    dipropyl ether 3348.53
    1,2-dichlorobenzene 981.28
    ethyl lactate 548.38
    propylene carbonate 1106.15
    n-methylformamide 695.41
    2-pentanol 2604.22
    n-pentane 1241.04
    1-propoxy-2-propanol 2469.31
    1-methoxy-2-propyl acetate 1873.19
    2-(2-methoxypropoxy) propanol 1052.55
    mesitylene 565.62
    ε-caprolactone 2674.41
    p-cymene 475.96
    epichlorohydrin 3006.98
    1,1,1-trichloroethane 2940.08
    2-aminoethanol 667.28
    morpholine-4-carbaldehyde 1669.65
    sulfolane 2004.77
    2,2,4-trimethylpentane 361.0
    2-methyltetrahydrofuran 5643.48
    n-hexyl acetate 1897.8
    isooctane 300.82
    2-(2-butoxyethoxy)ethanol 1639.2
    sec-butyl acetate 1656.22
    tert-butyl acetate 2229.13
    decalin 652.03
    glycerin 467.88
    diglyme 2694.52
    acrylic acid 545.18
    isopropyl myristate 619.28
    n-butyric acid 2492.03
    acetyl acetate 1163.49
    di(2-ethylhexyl) phthalate 405.7
    ethyl propionate 1819.86
    nitromethane 1433.03
    1,2-diethoxyethane 3697.9
    benzonitrile 1109.42
    trioctyl phosphate 319.13
    1-bromopropane 3712.5
    gamma-valerolactone 2908.33
    n-decanol 509.91
    triethyl phosphate 506.67
    4-methyl-2-pentanol 1249.04
    propionitrile 2009.4
    vinylene carbonate 808.55
    1,1,2-trichlorotrifluoroethane 1574.53
    DMS 797.37
    cumene 517.04
    2-octanol 684.04
    2-hexanone 2681.42
    octyl acetate 694.08
    limonene 1062.79
    1,2-dimethoxyethane 3671.16
    ethyl orthosilicate 604.06
    tributyl phosphate 464.73
    diacetone alcohol 1648.48
    N,N-dimethylaniline 734.6
    acrylonitrile 1393.86
    aniline 1320.93
    1,3-propanediol 1134.29
    bromobenzene 1391.3
    dibromomethane 3487.13
    1,1,2,2-tetrachloroethane 3507.74
    2-methyl-cyclohexyl acetate 1113.11
    tetrabutyl urea 560.22
    diisobutyl methanol 879.32
    2-phenylethanol 970.35
    styrene 1088.92
    dioctyl adipate 770.81
    dimethyl sulfate 397.61
    ethyl butyrate 1897.25
    methyl lactate 464.49
    butyl lactate 830.06
    diethyl carbonate 880.93
    propanediol butyl ether 1017.21
    triethyl orthoformate 1191.98
    p-tert-butyltoluene 461.66
    methyl 4-tert-butylbenzoate 702.64
    morpholine 5732.46
    tert-butylamine 3073.2
    n-dodecanol 375.49
    dimethoxymethane 1667.2
    ethylene carbonate 886.24
    cyrene 625.02
    2-ethoxyethyl acetate 1559.64
    2-ethylhexyl acetate 1863.53
    1,2,4-trichlorobenzene 1054.45
    4-methylpyridine 2632.49
    dibutyl ether 2675.89
    2,6-dimethyl-4-heptanol 879.32
    DEF 2438.5
    dimethyl isosorbide 1439.03
    tetrachloroethylene 2267.89
    eugenol 638.72
    triacetin 1152.24
    span 80 1047.12
    1,4-butanediol 438.25
    1,1-dichloroethane 3675.36
    2-methyl-1-pentanol 1916.27
    methyl formate 390.49
    2-methyl-1-butanol 2383.67
    n-decane 251.78
    butyronitrile 2645.92
    3,7-dimethyl-1-octanol 1021.92
    1-chlorooctane 865.95
    1-chlorotetradecane 254.71
    n-nonane 304.09
    undecane 151.89
    tert-butylcyclohexane 566.42
    cyclooctane 602.01
    cyclopentanol 2044.64
    tetrahydropyran 7677.77
    tert-amyl methyl ether 3086.86
    2,5,8-trioxanonane 1617.96
    1-hexene 4831.53
    2-isopropoxyethanol 1636.46
    2,2,2-trifluoroethanol 182.12
    methyl butyrate 2348.51

    Scent© AI

1 3

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

Botanical

Name CAS Botanical Proportion
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.15%