3,6-Dodecadienal, (3Z,6Z)-

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  • Identifiers

    CAS number
    13553-09-8

    Molecular formula
    C12H20O

    SMILES
    CCCCCC=CCC=CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 73.12%
    Citrus 60.1%
    Waxy 42.47%
    Green 40.26%
    Oily 39.08%
    Aldehydic 38.92%
    Fruity 35.72%
    Melon 35.07%
    Cucumber 34.03%
    Fresh 32.71%

     

    Flavor
    Fatty 39.27%
    Citrus 32.32%
    Melon 31.98%
    Cucumber 29.45%
    Pumpkin 22.41%
    Green 21.91%
    Honeydew 21.26%
    Biscuit 21.16%
    Waxy 21.15%
    Wax 20.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.34 (neutral)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 122.05 ˚C est.

  • Synonyms

    • 3,6-Dodecadienal, (3Z,6Z)-
    • RefChem:487629
    • DODECA-3,6-DIENAL
    • 13553-09-8
    • 3,6-dodecadien-1-al
    • SCHEMBL4232824
    • (Z,Z)-3,6-dodecadien-1-al
    • DTXSID60869594
    • KPYAJCQYTVRFPU-UHFFFAOYSA-N
    • NS00122937
    • 13553-09-8

  • Applications

    3,6-Dodecadienal, (3Z,6Z)-, CAS 13553-09-8 is a chemical used primarily as a fragrance ingredient and odorant in the perfumery and fragrance industry, where it serves as a distinctive scent component or as an intermediate for synthesizing more complex fragrance compounds; it is also regarded as a fragrance ingredient in cosmetics and personal care products; it may be used in household and cleaning products to contribute an odor; it may be evaluated for flavor/aroma applications in food and seasoning formulations at low concentrations; and it can function as an intermediate in the synthesis of fragrance-related chemicals in industrial manufacturing. However, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2215.13
    methanol 1890.28
    isopropanol 1741.19
    water 0.02
    ethyl acetate 1895.26
    n-propanol 1756.94
    acetone 2507.15
    n-butanol 1589.19
    acetonitrile 1077.3
    DMF 1132.41
    toluene 631.45
    isobutanol 1063.92
    1,4-dioxane 1992.54
    methyl acetate 1061.34
    THF 3275.38
    2-butanone 1871.62
    n-pentanol 1153.1
    sec-butanol 1346.79
    n-hexane 627.73
    ethylene glycol 131.82
    NMP 719.61
    cyclohexane 676.98
    DMSO 2583.66
    n-butyl acetate 1529.83
    n-octanol 285.69
    chloroform 2178.42
    n-propyl acetate 1251.35
    acetic acid 690.01
    dichloromethane 2579.58
    cyclohexanone 1984.3
    propylene glycol 317.93
    isopropyl acetate 1047.46
    DMAc 730.24
    2-ethoxyethanol 1081.51
    isopentanol 1292.11
    n-heptane 278.22
    ethyl formate 568.38
    1,2-dichloroethane 2216.46
    n-hexanol 1240.44
    2-methoxyethanol 1693.27
    isobutyl acetate 696.55
    tetrachloromethane 387.43
    n-pentyl acetate 584.52
    transcutol 3864.96
    n-heptanol 331.73
    ethylbenzene 336.89
    MIBK 939.95
    2-propoxyethanol 1379.18
    tert-butanol 1761.14
    MTBE 1805.78
    2-butoxyethanol 585.98
    propionic acid 652.26
    o-xylene 297.31
    formic acid 107.4
    diethyl ether 2976.12
    m-xylene 392.84
    p-xylene 346.98
    chlorobenzene 626.02
    dimethyl carbonate 185.24
    n-octane 69.01
    formamide 190.05
    cyclopentanone 1712.24
    2-pentanone 1903.21
    anisole 550.5
    cyclopentyl methyl ether 1724.47
    gamma-butyrolactone 1293.07
    1-methoxy-2-propanol 1437.67
    pyridine 1496.6
    3-pentanone 1060.39
    furfural 853.2
    n-dodecane 34.05
    diethylene glycol 615.65
    diisopropyl ether 629.24
    tert-amyl alcohol 1160.67
    acetylacetone 1188.41
    n-hexadecane 40.16
    acetophenone 469.27
    methyl propionate 984.11
    isopentyl acetate 1201.65
    trichloroethylene 2566.84
    n-nonanol 257.48
    cyclohexanol 1134.49
    benzyl alcohol 457.24
    2-ethylhexanol 722.5
    isooctanol 296.85
    dipropyl ether 1458.98
    1,2-dichlorobenzene 516.37
    ethyl lactate 293.12
    propylene carbonate 670.34
    n-methylformamide 524.89
    2-pentanol 1190.3
    n-pentane 405.9
    1-propoxy-2-propanol 1211.58
    1-methoxy-2-propyl acetate 960.31
    2-(2-methoxypropoxy) propanol 484.31
    mesitylene 257.13
    ε-caprolactone 1268.56
    p-cymene 203.54
    epichlorohydrin 2056.08
    1,1,1-trichloroethane 1514.19
    2-aminoethanol 445.29
    morpholine-4-carbaldehyde 949.88
    sulfolane 1371.75
    2,2,4-trimethylpentane 109.2
    2-methyltetrahydrofuran 2629.42
    n-hexyl acetate 685.13
    isooctane 106.44
    2-(2-butoxyethoxy)ethanol 742.83
    sec-butyl acetate 756.43
    tert-butyl acetate 1003.69
    decalin 187.75
    glycerin 289.12
    diglyme 1449.81
    acrylic acid 339.07
    isopropyl myristate 252.69
    n-butyric acid 1333.99
    acetyl acetate 610.19
    di(2-ethylhexyl) phthalate 173.79
    ethyl propionate 911.76
    nitromethane 1023.23
    1,2-diethoxyethane 1919.96
    benzonitrile 551.23
    trioctyl phosphate 135.15
    1-bromopropane 2046.5
    gamma-valerolactone 1678.35
    n-decanol 185.24
    triethyl phosphate 258.27
    4-methyl-2-pentanol 525.98
    propionitrile 1077.12
    vinylene carbonate 510.48
    1,1,2-trichlorotrifluoroethane 989.75
    DMS 390.34
    cumene 204.8
    2-octanol 214.57
    2-hexanone 1374.84
    octyl acetate 280.59
    limonene 422.36
    1,2-dimethoxyethane 1900.76
    ethyl orthosilicate 284.63
    tributyl phosphate 196.8
    diacetone alcohol 882.25
    N,N-dimethylaniline 329.21
    acrylonitrile 856.18
    aniline 647.66
    1,3-propanediol 737.78
    bromobenzene 719.92
    dibromomethane 2094.85
    1,1,2,2-tetrachloroethane 2099.63
    2-methyl-cyclohexyl acetate 512.25
    tetrabutyl urea 244.15
    diisobutyl methanol 396.56
    2-phenylethanol 496.33
    styrene 457.06
    dioctyl adipate 336.42
    dimethyl sulfate 272.84
    ethyl butyrate 981.66
    methyl lactate 279.42
    butyl lactate 367.19
    diethyl carbonate 446.28
    propanediol butyl ether 424.98
    triethyl orthoformate 545.47
    p-tert-butyltoluene 199.66
    methyl 4-tert-butylbenzoate 319.62
    morpholine 2795.89
    tert-butylamine 1259.2
    n-dodecanol 138.62
    dimethoxymethane 1220.78
    ethylene carbonate 492.67
    cyrene 328.77
    2-ethoxyethyl acetate 721.41
    2-ethylhexyl acetate 872.68
    1,2,4-trichlorobenzene 537.78
    4-methylpyridine 1303.63
    dibutyl ether 916.43
    2,6-dimethyl-4-heptanol 396.56
    DEF 1372.66
    dimethyl isosorbide 761.72
    tetrachloroethylene 1341.39
    eugenol 315.88
    triacetin 488.36
    span 80 439.09
    1,4-butanediol 262.99
    1,1-dichloroethane 2096.45
    2-methyl-1-pentanol 856.04
    methyl formate 294.05
    2-methyl-1-butanol 1071.76
    n-decane 71.51
    butyronitrile 1425.47
    3,7-dimethyl-1-octanol 373.81
    1-chlorooctane 281.56
    1-chlorotetradecane 91.62
    n-nonane 82.43
    undecane 46.72
    tert-butylcyclohexane 171.48
    cyclooctane 174.75
    cyclopentanol 921.43
    tetrahydropyran 3556.85
    tert-amyl methyl ether 1061.42
    2,5,8-trioxanonane 838.22
    1-hexene 1638.55
    2-isopropoxyethanol 780.16
    2,2,2-trifluoroethanol 109.89
    methyl butyrate 1210.5

    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