Tridec-4-enal

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  • Identifiers

    CAS number
    98474-68-1

    Molecular formula
    C13H24O

    SMILES
    CCCCCCCCC=CCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 76.81%
    Fatty 70.92%
    Waxy 66.77%
    Aldehydic 58.5%
    Fruity 57.09%
    Orange 54.52%
    Floral 52.14%
    Fresh 48.44%
    Green 45.91%
    Fruit skin 38.15%

     

    Flavor
    Waxy 46.73%
    Citrus 44.13%
    Fatty 37.21%
    Aldehydic 33.06%
    Fresh 30.68%
    Melon 28.17%
    Orange 27.62%
    Cucumber 27.32%
    Floral 25.76%
    Rose 25.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.12 (neutral)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    258°C

    Flash point

    • 121.3 ˚C est.

  • Synonyms

    • Tridec-4-enal
    • 98474-68-1
    • DTXSID50705755
    • RefChem:386047
    • DTXCID20656503
    • 4-Tridecenal
    • SCHEMBL7298483
    • SCHEMBL7298488
    • 98474-68-1

  • Applications

    Tridec-4-enal (CAS 98474-68-1) is a long-chain aldehyde primarily used as an odor-active ingredient and a synthetic intermediate in fragrance chemistry. In perfumery, it serves as a scent component or building block for aldehydic notes. In cosmetics and personal care, it is used as a fragrance ingredient to impart specific aroma profiles. In household products such as air fresheners and cleaners, it can function as an odorant to provide a characteristic fragrance. In coatings and inks, it may be included as a fragrance additive to enhance product aroma. In industrial manufacturing, it is often used as an intermediate in the synthesis of other aroma chemicals or specialty fragrance formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2167.56
    methanol 1579.98
    isopropanol 2417.76
    water 0.01
    ethyl acetate 3188.23
    n-propanol 2120.26
    acetone 3867.65
    n-butanol 2181.75
    acetonitrile 1331.75
    DMF 1487.92
    toluene 1039.03
    isobutanol 1502.64
    1,4-dioxane 2839.66
    methyl acetate 1550.51
    THF 5553.72
    2-butanone 3190.33
    n-pentanol 1573.87
    sec-butanol 2039.39
    n-hexane 1472.8
    ethylene glycol 83.69
    NMP 1141.33
    cyclohexane 1722.16
    DMSO 3067.14
    n-butyl acetate 2883.46
    n-octanol 518.49
    chloroform 3358.66
    n-propyl acetate 2478.83
    acetic acid 689.72
    dichloromethane 3943.33
    cyclohexanone 3687.48
    propylene glycol 246.83
    isopropyl acetate 2034.81
    DMAc 1031.64
    2-ethoxyethanol 1406.32
    isopentanol 2031.48
    n-heptane 700.01
    ethyl formate 865.93
    1,2-dichloroethane 3546.82
    n-hexanol 1775.17
    2-methoxyethanol 1944.43
    isobutyl acetate 1294.66
    tetrachloromethane 717.36
    n-pentyl acetate 1344.19
    transcutol 5143.54
    n-heptanol 566.5
    ethylbenzene 613.88
    MIBK 1838.4
    2-propoxyethanol 1990.65
    tert-butanol 2742.04
    MTBE 3441.79
    2-butoxyethanol 953.73
    propionic acid 776.02
    o-xylene 521.18
    formic acid 80.08
    diethyl ether 5075.86
    m-xylene 660.1
    p-xylene 654.12
    chlorobenzene 1044.61
    dimethyl carbonate 251.18
    n-octane 173.81
    formamide 165.62
    cyclopentanone 2924.29
    2-pentanone 3552.86
    anisole 897.21
    cyclopentyl methyl ether 3274.36
    gamma-butyrolactone 2128.11
    1-methoxy-2-propanol 1932.0
    pyridine 2218.85
    3-pentanone 1891.85
    furfural 1289.32
    n-dodecane 69.51
    diethylene glycol 644.18
    diisopropyl ether 1334.48
    tert-amyl alcohol 1943.47
    acetylacetone 1951.01
    n-hexadecane 84.21
    acetophenone 750.84
    methyl propionate 1548.32
    isopentyl acetate 2269.44
    trichloroethylene 3826.06
    n-nonanol 467.51
    cyclohexanol 1982.92
    benzyl alcohol 639.94
    2-ethylhexanol 1269.07
    isooctanol 561.56
    dipropyl ether 3098.51
    1,2-dichlorobenzene 892.32
    ethyl lactate 447.76
    propylene carbonate 1125.53
    n-methylformamide 628.19
    2-pentanol 1867.29
    n-pentane 868.59
    1-propoxy-2-propanol 1934.18
    1-methoxy-2-propyl acetate 1671.99
    2-(2-methoxypropoxy) propanol 699.72
    mesitylene 457.39
    ε-caprolactone 2370.84
    p-cymene 392.65
    epichlorohydrin 3198.56
    1,1,1-trichloroethane 2737.29
    2-aminoethanol 358.33
    morpholine-4-carbaldehyde 1399.73
    sulfolane 2254.53
    2,2,4-trimethylpentane 223.49
    2-methyltetrahydrofuran 4922.77
    n-hexyl acetate 1415.19
    isooctane 221.84
    2-(2-butoxyethoxy)ethanol 1095.25
    sec-butyl acetate 1551.25
    tert-butyl acetate 1973.95
    decalin 398.4
    glycerin 243.8
    diglyme 2171.0
    acrylic acid 374.97
    isopropyl myristate 477.81
    n-butyric acid 2059.01
    acetyl acetate 963.52
    di(2-ethylhexyl) phthalate 277.25
    ethyl propionate 1768.38
    nitromethane 1208.96
    1,2-diethoxyethane 3299.05
    benzonitrile 880.19
    trioctyl phosphate 237.87
    1-bromopropane 3606.8
    gamma-valerolactone 2821.25
    n-decanol 322.08
    triethyl phosphate 469.21
    4-methyl-2-pentanol 921.97
    propionitrile 1583.32
    vinylene carbonate 789.73
    1,1,2-trichlorotrifluoroethane 1354.47
    DMS 598.66
    cumene 371.77
    2-octanol 439.79
    2-hexanone 2517.53
    octyl acetate 517.71
    limonene 861.69
    1,2-dimethoxyethane 3065.02
    ethyl orthosilicate 520.41
    tributyl phosphate 349.77
    diacetone alcohol 1464.42
    N,N-dimethylaniline 538.06
    acrylonitrile 1121.4
    aniline 949.72
    1,3-propanediol 741.4
    bromobenzene 1250.0
    dibromomethane 3375.81
    1,1,2,2-tetrachloroethane 3263.7
    2-methyl-cyclohexyl acetate 961.66
    tetrabutyl urea 426.94
    diisobutyl methanol 751.12
    2-phenylethanol 732.92
    styrene 792.2
    dioctyl adipate 599.99
    dimethyl sulfate 366.78
    ethyl butyrate 1954.52
    methyl lactate 354.79
    butyl lactate 675.71
    diethyl carbonate 822.84
    propanediol butyl ether 621.66
    triethyl orthoformate 1070.74
    p-tert-butyltoluene 374.38
    methyl 4-tert-butylbenzoate 550.62
    morpholine 4211.15
    tert-butylamine 2099.28
    n-dodecanol 237.38
    dimethoxymethane 1686.44
    ethylene carbonate 807.63
    cyrene 474.3
    2-ethoxyethyl acetate 1370.0
    2-ethylhexyl acetate 1751.93
    1,2,4-trichlorobenzene 897.45
    4-methylpyridine 2160.41
    dibutyl ether 2033.45
    2,6-dimethyl-4-heptanol 751.12
    DEF 2407.92
    dimethyl isosorbide 1186.64
    tetrachloroethylene 2134.76
    eugenol 475.91
    triacetin 822.08
    span 80 660.71
    1,4-butanediol 266.25
    1,1-dichloroethane 3658.61
    2-methyl-1-pentanol 1302.82
    methyl formate 347.69
    2-methyl-1-butanol 1635.24
    n-decane 165.46
    butyronitrile 2305.16
    3,7-dimethyl-1-octanol 684.58
    1-chlorooctane 616.78
    1-chlorotetradecane 177.3
    n-nonane 201.94
    undecane 99.68
    tert-butylcyclohexane 353.84
    cyclooctane 440.69
    cyclopentanol 1530.76
    tetrahydropyran 6296.68
    tert-amyl methyl ether 2031.22
    2,5,8-trioxanonane 1188.36
    1-hexene 3205.09
    2-isopropoxyethanol 1172.33
    2,2,2-trifluoroethanol 123.53
    methyl butyrate 2350.55

    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