4,7-Tridecadienal, (4Z,7Z)-

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  • Identifiers

    CAS number
    13552-95-9

    Molecular formula
    C13H22O

    SMILES
    CCCCC/C=C\C/C=C\CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.43%
    Citrus 63.28%
    Waxy 50.18%
    Fruity 46.3%
    Aldehydic 43.57%
    Oily 41.02%
    Orange 37.13%
    Herbal 35.56%
    Fresh 34.65%
    Green 33.49%

     

    Flavor
    Fatty 29.6%
    Citrus 25.12%
    Melon 23.53%
    Cucumber 21.89%
    Pumpkin 20.62%
    Honeydew 20.09%
    Biscuit 19.85%
    Dewy 19.65%
    Oriental 19.3%
    Delicate 18.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.3 (neutral)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 131.41 ˚C est.

  • Synonyms

    • (4Z,7Z)-Trideca-4,7-dienal
    • (4Z,7Z)-Tridecadienal
    • 13552-95-9
    • Fema No. 4735
    • cis,cis-4,7-Tridecadienal
    • (Z,Z)-4,7-Tridecadienal
    • 2A0A39F6SB
    • 4,7-Tridecadienal, (Z,Z)-
    • 4,7-Tridecadienal, (4Z,7Z)-
    • UNII-2A0A39F6SB
    • RefChem:198514
    • (4z,7z)-4,7-tridecadienal
    • SCHEMBL10711851
    • EN300-8770931
    • 13552-95-9

  • Applications

    4,7-Tridecadienal, (4Z,7Z)- (CAS 13552-95-9) is used primarily as an odorant in perfumery, providing green, aldehydic notes as a fragrance ingredient; it is commonly evaluated for inclusion in cosmetics and personal care formulations to impart a distinctive scent, and in household products such as cleaners and air fresheners as a fragrance component; as a specialty chemical in fragrance chemistry it can serve as an intermediate for the synthesis of more complex aroma compounds; and it may be employed in coatings and inks as a fragrance additive to contribute odor characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1925.84
    methanol 1656.22
    isopropanol 1604.47
    water 0.02
    ethyl acetate 2125.18
    n-propanol 1595.85
    acetone 2392.81
    n-butanol 1527.69
    acetonitrile 999.24
    DMF 979.95
    toluene 667.27
    isobutanol 1006.86
    1,4-dioxane 2037.62
    methyl acetate 1089.1
    THF 3457.96
    2-butanone 1907.2
    n-pentanol 1117.99
    sec-butanol 1328.83
    n-hexane 672.96
    ethylene glycol 94.5
    NMP 665.01
    cyclohexane 781.36
    DMSO 2302.26
    n-butyl acetate 1733.13
    n-octanol 301.5
    chloroform 2283.85
    n-propyl acetate 1477.25
    acetic acid 621.74
    dichloromethane 2848.62
    cyclohexanone 2078.72
    propylene glycol 237.43
    isopropyl acetate 1256.37
    DMAc 719.22
    2-ethoxyethanol 1075.16
    isopentanol 1333.62
    n-heptane 309.53
    ethyl formate 586.16
    1,2-dichloroethane 2424.8
    n-hexanol 1208.39
    2-methoxyethanol 1553.2
    isobutyl acetate 808.55
    tetrachloromethane 422.61
    n-pentyl acetate 721.0
    transcutol 4141.05
    n-heptanol 342.59
    ethylbenzene 370.73
    MIBK 1071.77
    2-propoxyethanol 1357.89
    tert-butanol 1731.0
    MTBE 1994.1
    2-butoxyethanol 612.77
    propionic acid 582.71
    o-xylene 319.63
    formic acid 87.95
    diethyl ether 3353.56
    m-xylene 422.49
    p-xylene 386.19
    chlorobenzene 666.66
    dimethyl carbonate 179.41
    n-octane 78.49
    formamide 162.26
    cyclopentanone 1684.87
    2-pentanone 2066.71
    anisole 595.53
    cyclopentyl methyl ether 1851.49
    gamma-butyrolactone 1283.04
    1-methoxy-2-propanol 1376.75
    pyridine 1526.5
    3-pentanone 1128.04
    furfural 874.61
    n-dodecane 37.25
    diethylene glycol 547.9
    diisopropyl ether 731.84
    tert-amyl alcohol 1175.23
    acetylacetone 1283.85
    n-hexadecane 44.29
    acetophenone 517.83
    methyl propionate 1007.87
    isopentyl acetate 1366.42
    trichloroethylene 2733.52
    n-nonanol 276.15
    cyclohexanol 1138.65
    benzyl alcohol 464.78
    2-ethylhexanol 766.27
    isooctanol 323.32
    dipropyl ether 1711.63
    1,2-dichlorobenzene 560.29
    ethyl lactate 302.86
    propylene carbonate 704.44
    n-methylformamide 454.77
    2-pentanol 1197.44
    n-pentane 430.45
    1-propoxy-2-propanol 1250.43
    1-methoxy-2-propyl acetate 1066.69
    2-(2-methoxypropoxy) propanol 509.71
    mesitylene 277.84
    ε-caprolactone 1392.73
    p-cymene 227.15
    epichlorohydrin 2145.54
    1,1,1-trichloroethane 1640.31
    2-aminoethanol 352.3
    morpholine-4-carbaldehyde 947.46
    sulfolane 1323.64
    2,2,4-trimethylpentane 119.71
    2-methyltetrahydrofuran 2881.5
    n-hexyl acetate 797.46
    isooctane 116.41
    2-(2-butoxyethoxy)ethanol 783.52
    sec-butyl acetate 907.67
    tert-butyl acetate 1153.69
    decalin 208.65
    glycerin 228.87
    diglyme 1553.55
    acrylic acid 293.65
    isopropyl myristate 287.25
    n-butyric acid 1364.36
    acetyl acetate 689.4
    di(2-ethylhexyl) phthalate 186.77
    ethyl propionate 1049.29
    nitromethane 952.0
    1,2-diethoxyethane 2224.54
    benzonitrile 579.6
    trioctyl phosphate 148.56
    1-bromopropane 2265.05
    gamma-valerolactone 1733.03
    n-decanol 197.05
    triethyl phosphate 292.86
    4-methyl-2-pentanol 561.65
    propionitrile 1049.99
    vinylene carbonate 519.46
    1,1,2-trichlorotrifluoroethane 953.86
    DMS 421.0
    cumene 227.4
    2-octanol 234.25
    2-hexanone 1503.17
    octyl acetate 318.17
    limonene 477.77
    1,2-dimethoxyethane 2070.56
    ethyl orthosilicate 325.63
    tributyl phosphate 219.66
    diacetone alcohol 928.36
    N,N-dimethylaniline 356.42
    acrylonitrile 787.72
    aniline 649.53
    1,3-propanediol 637.95
    bromobenzene 775.46
    dibromomethane 2340.68
    1,1,2,2-tetrachloroethane 2208.65
    2-methyl-cyclohexyl acetate 592.65
    tetrabutyl urea 270.2
    diisobutyl methanol 433.32
    2-phenylethanol 504.91
    styrene 502.28
    dioctyl adipate 377.61
    dimethyl sulfate 261.17
    ethyl butyrate 1164.59
    methyl lactate 258.53
    butyl lactate 409.7
    diethyl carbonate 523.2
    propanediol butyl ether 430.61
    triethyl orthoformate 640.76
    p-tert-butyltoluene 218.43
    methyl 4-tert-butylbenzoate 354.49
    morpholine 2840.03
    tert-butylamine 1251.22
    n-dodecanol 145.66
    dimethoxymethane 1199.42
    ethylene carbonate 516.05
    cyrene 340.19
    2-ethoxyethyl acetate 852.28
    2-ethylhexyl acetate 1009.74
    1,2,4-trichlorobenzene 576.22
    4-methylpyridine 1390.51
    dibutyl ether 1098.41
    2,6-dimethyl-4-heptanol 433.32
    DEF 1471.33
    dimethyl isosorbide 825.83
    tetrachloroethylene 1417.36
    eugenol 333.42
    triacetin 547.88
    span 80 458.57
    1,4-butanediol 227.95
    1,1-dichloroethane 2273.21
    2-methyl-1-pentanol 888.77
    methyl formate 255.15
    2-methyl-1-butanol 1066.2
    n-decane 80.82
    butyronitrile 1474.48
    3,7-dimethyl-1-octanol 402.86
    1-chlorooctane 321.8
    1-chlorotetradecane 98.2
    n-nonane 94.47
    undecane 51.45
    tert-butylcyclohexane 187.37
    cyclooctane 197.79
    cyclopentanol 860.6
    tetrahydropyran 3871.18
    tert-amyl methyl ether 1162.9
    2,5,8-trioxanonane 881.34
    1-hexene 1747.92
    2-isopropoxyethanol 806.99
    2,2,2-trifluoroethanol 99.36
    methyl butyrate 1400.4

    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