Tetradeca-5,8,11-trien-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    105657-89-4

    Molecular formula
    C14H22O

    SMILES
    CCC=CCC=CCC=CCCC(=O)C

  • Odor profile

    Fragrance
    Fatty 70.35%
    Fruity 63.79%
    Oily 48.73%
    Waxy 43.29%
    Citrus 42.49%
    Green 40.09%
    Herbal 37.97%
    Melon 36.0%
    Pear 33.33%
    Floral 33.01%

     

    Flavor
    Fatty 20.89%
    Oriental 19.25%
    Pumpkin 19.13%
    Diterpene 18.92%
    Low 18.85%
    Biscuit 18.74%
    Delicate 18.48%
    Citrus 18.45%
    Honeydew 18.43%
    Skunky 18.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.49 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    265°C

    Flash point

    • 138.7 ˚C est.

  • Synonyms

    • tetradeca-5,8,11-trien-2-one
    • 105657-89-4
    • DTXSID00761922
    • 5,8,11-tetradecatrien-2-one
    • DTXCID90712665

  • Applications

    Tetradeca-5,8,11-trien-2-one (CAS 105657-89-4) is primarily considered a fragrance-related odorant and fragrance ingredient in perfumery, with potential as an intermediate in the synthesis of complex aroma compounds. It may also be evaluated for use in cosmetics and personal care formulations as a fragrance component, and in household products such as cleaning agents to contribute odor. In industrial manufacturing, it can serve as an intermediate for the synthesis of fragrance substances or related intermediates, and it may be considered for incorporation into coatings and inks as an aroma additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 446.93
    methanol 368.87
    isopropanol 343.81
    water 0.03
    ethyl acetate 529.22
    n-propanol 361.95
    acetone 484.82
    n-butanol 375.04
    acetonitrile 269.02
    DMF 311.83
    toluene 291.21
    isobutanol 247.58
    1,4-dioxane 843.41
    methyl acetate 351.3
    THF 1126.67
    2-butanone 485.22
    n-pentanol 333.65
    sec-butanol 355.78
    n-hexane 328.49
    ethylene glycol 34.94
    NMP 346.77
    cyclohexane 358.37
    DMSO 609.39
    n-butyl acetate 511.79
    n-octanol 157.33
    chloroform 1206.19
    n-propyl acetate 421.19
    acetic acid 200.04
    dichloromethane 1063.26
    cyclohexanone 699.18
    propylene glycol 103.66
    isopropyl acetate 363.37
    DMAc 446.42
    2-ethoxyethanol 370.92
    isopentanol 346.5
    n-heptane 157.52
    ethyl formate 165.1
    1,2-dichloroethane 702.36
    n-hexanol 427.11
    2-methoxyethanol 424.7
    isobutyl acetate 296.08
    tetrachloromethane 196.33
    n-pentyl acetate 270.57
    transcutol 1862.6
    n-heptanol 147.38
    ethylbenzene 214.37
    MIBK 321.12
    2-propoxyethanol 518.7
    tert-butanol 493.03
    MTBE 650.13
    2-butoxyethanol 262.9
    propionic acid 200.86
    o-xylene 188.55
    formic acid 33.21
    diethyl ether 864.31
    m-xylene 193.48
    p-xylene 232.26
    chlorobenzene 302.1
    dimethyl carbonate 76.04
    n-octane 42.1
    formamide 48.59
    cyclopentanone 546.36
    2-pentanone 485.4
    anisole 322.12
    cyclopentyl methyl ether 627.61
    gamma-butyrolactone 466.86
    1-methoxy-2-propanol 385.81
    pyridine 571.88
    3-pentanone 369.63
    furfural 363.5
    n-dodecane 25.79
    diethylene glycol 225.93
    diisopropyl ether 239.98
    tert-amyl alcohol 443.89
    acetylacetone 412.41
    n-hexadecane 30.08
    acetophenone 274.95
    methyl propionate 283.44
    isopentyl acetate 459.33
    trichloroethylene 969.52
    n-nonanol 151.33
    cyclohexanol 381.43
    benzyl alcohol 218.56
    2-ethylhexanol 321.04
    isooctanol 140.22
    dipropyl ether 581.24
    1,2-dichlorobenzene 282.08
    ethyl lactate 140.78
    propylene carbonate 284.96
    n-methylformamide 107.9
    2-pentanol 316.99
    n-pentane 155.09
    1-propoxy-2-propanol 463.99
    1-methoxy-2-propyl acetate 406.48
    2-(2-methoxypropoxy) propanol 332.66
    mesitylene 138.45
    ε-caprolactone 528.5
    p-cymene 130.12
    epichlorohydrin 674.89
    1,1,1-trichloroethane 651.51
    2-aminoethanol 117.22
    morpholine-4-carbaldehyde 432.41
    sulfolane 555.64
    2,2,4-trimethylpentane 64.93
    2-methyltetrahydrofuran 937.88
    n-hexyl acetate 381.35
    isooctane 50.01
    2-(2-butoxyethoxy)ethanol 447.69
    sec-butyl acetate 317.26
    tert-butyl acetate 408.86
    decalin 137.32
    glycerin 108.21
    diglyme 770.1
    acrylic acid 119.22
    isopropyl myristate 162.18
    n-butyric acid 385.98
    acetyl acetate 252.52
    di(2-ethylhexyl) phthalate 131.49
    ethyl propionate 334.02
    nitromethane 268.66
    1,2-diethoxyethane 756.8
    benzonitrile 262.3
    trioctyl phosphate 91.5
    1-bromopropane 685.93
    gamma-valerolactone 608.96
    n-decanol 111.95
    triethyl phosphate 168.03
    4-methyl-2-pentanol 187.17
    propionitrile 297.91
    vinylene carbonate 221.82
    1,1,2-trichlorotrifluoroethane 405.12
    DMS 242.3
    cumene 142.0
    2-octanol 110.05
    2-hexanone 464.29
    octyl acetate 179.72
    limonene 238.89
    1,2-dimethoxyethane 723.08
    ethyl orthosilicate 181.5
    tributyl phosphate 132.81
    diacetone alcohol 338.07
    N,N-dimethylaniline 236.89
    acrylonitrile 237.0
    aniline 261.75
    1,3-propanediol 188.39
    bromobenzene 358.38
    dibromomethane 845.53
    1,1,2,2-tetrachloroethane 951.85
    2-methyl-cyclohexyl acetate 305.68
    tetrabutyl urea 171.4
    diisobutyl methanol 179.12
    2-phenylethanol 238.61
    styrene 262.84
    dioctyl adipate 241.96
    dimethyl sulfate 132.75
    ethyl butyrate 419.75
    methyl lactate 110.27
    butyl lactate 192.5
    diethyl carbonate 241.24
    propanediol butyl ether 240.32
    triethyl orthoformate 300.63
    p-tert-butyltoluene 126.68
    methyl 4-tert-butylbenzoate 234.29
    morpholine 968.62
    tert-butylamine 377.25
    n-dodecanol 88.93
    dimethoxymethane 315.08
    ethylene carbonate 212.51
    cyrene 221.06
    2-ethoxyethyl acetate 335.97
    2-ethylhexyl acetate 378.91
    1,2,4-trichlorobenzene 322.13
    4-methylpyridine 526.75
    dibutyl ether 461.65
    2,6-dimethyl-4-heptanol 179.12
    DEF 433.13
    dimethyl isosorbide 488.13
    tetrachloroethylene 586.29
    eugenol 211.96
    triacetin 347.83
    span 80 304.39
    1,4-butanediol 82.65
    1,1-dichloroethane 695.52
    2-methyl-1-pentanol 313.67
    methyl formate 72.23
    2-methyl-1-butanol 316.49
    n-decane 51.02
    butyronitrile 377.07
    3,7-dimethyl-1-octanol 203.09
    1-chlorooctane 175.86
    1-chlorotetradecane 67.37
    n-nonane 54.26
    undecane 34.5
    tert-butylcyclohexane 114.55
    cyclooctane 103.09
    cyclopentanol 289.13
    tetrahydropyran 1175.85
    tert-amyl methyl ether 481.36
    2,5,8-trioxanonane 540.5
    1-hexene 645.63
    2-isopropoxyethanol 323.02
    2,2,2-trifluoroethanol 45.18
    methyl butyrate 430.19

    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