Dodeca-2,4-dienal

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  • Identifiers

    CAS number
    21662-15-7

    Molecular formula
    C12H20O

    SMILES
    CCCCCCCC=CC=CC=O

    Retention indicies (RI)

    • Carbowax: 1890.0

  • Odor profile

    Fatty 90.71%
    Citrus 71.66%
    Waxy 68.83%
    Green 61.01%
    Fruity 59.53%
    Aldehydic 58.53%
    Oily 51.66%
    Orange 51.01%
    Melon 48.43%
    Cucumber 48.3%

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  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.52 (neutral)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    265°C

    Flash point est.
    119.44 ˚C

  • Synonyms

    • dodeca-2,4-dienal
    • CID 30748
    • DTXSID10865006
    • 21662-15-7
    • dodec-2,4-dienal
    • 13162-47-5
    • DTXCID30813463

  • Applications

    Dodeca-2,4-dienal (CAS 21662-15-7) is used primarily in flavor and fragrance applications for its distinctive citrus/orange-peel, fresh fruity, slightly fatty–green and waxy character, brightening top notes and adding “juiciness” in beverages, confectionery, dairy, baked goods, savory snacks and seasonings; in fine fragrances, soaps, detergents and air care it imparts a clean aldehydic-citrus nuance that reinforces orange–mandarin facets and supports the opening accord; in aroma science and food analysis it serves as a reference/internal standard to study lipid oxidation products, model fried/roasted notes, and calibrate GC–MS/GC–O; in organic synthesis it is a convenient building block for functional transformations (reduction/oxidation to alcohols/acids, Schiff base formation, acetal derivatives) to access aroma ingredients, additives and reaction models; it is also used in encapsulation and controlled-release studies to stabilize citrus notes in food and home-care matrices; usage is typically at trace levels due to a low odor threshold and should comply with regional regulations (e.g., IFRA and food-flavor standards) with careful handling and storage under light/oxygen protection to limit polymerization and off-notes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2378.81
    methanol 1757.93
    isopropanol 2077.21
    water 0.01
    ethyl acetate 2924.76
    n-propanol 2055.76
    acetone 3742.05
    n-butanol 1902.36
    acetonitrile 1387.2
    DMF 1680.39
    toluene 987.47
    isobutanol 1357.02
    1,4-dioxane 2458.36
    methyl acetate 1529.91
    THF 4850.36
    2-butanone 3154.13
    n-pentanol 1370.48
    sec-butanol 1712.47
    n-hexane 906.6
    ethylene glycol 108.15
    NMP 1167.39
    cyclohexane 922.87
    DMSO 3367.81
    n-butyl acetate 2274.04
    n-octanol 355.55
    chloroform 2879.11
    n-propyl acetate 1891.32
    acetic acid 682.42
    dichloromethane 3818.21
    cyclohexanone 3255.89
    propylene glycol 303.78
    isopropyl acetate 1621.89
    DMAc 1009.8
    2-ethoxyethanol 1249.01
    isopentanol 1599.61
    n-heptane 362.5
    ethyl formate 765.53
    1,2-dichloroethane 3537.94
    n-hexanol 1484.29
    2-methoxyethanol 1969.45
    isobutyl acetate 991.58
    tetrachloromethane 528.21
    n-pentyl acetate 880.2
    transcutol 4901.81
    n-heptanol 403.95
    ethylbenzene 500.59
    MIBK 1437.89
    2-propoxyethanol 1736.35
    tert-butanol 2196.52
    MTBE 2752.86
    2-butoxyethanol 722.36
    propionic acid 807.26
    o-xylene 438.86
    formic acid 92.05
    diethyl ether 4295.93
    m-xylene 601.35
    p-xylene 499.3
    chlorobenzene 942.09
    dimethyl carbonate 275.64
    n-octane 96.25
    formamide 202.19
    cyclopentanone 2879.63
    2-pentanone 3098.0
    anisole 783.59
    cyclopentyl methyl ether 2851.29
    gamma-butyrolactone 2115.63
    1-methoxy-2-propanol 1859.53
    pyridine 2154.43
    3-pentanone 1724.82
    furfural 1193.92
    n-dodecane 43.26
    diethylene glycol 667.41
    diisopropyl ether 997.23
    tert-amyl alcohol 1563.68
    acetylacetone 1791.17
    n-hexadecane 52.44
    acetophenone 662.52
    methyl propionate 1620.67
    isopentyl acetate 1782.86
    trichloroethylene 4060.75
    n-nonanol 323.03
    cyclohexanol 1549.29
    benzyl alcohol 584.87
    2-ethylhexanol 949.25
    isooctanol 374.64
    dipropyl ether 2054.06
    1,2-dichlorobenzene 765.05
    ethyl lactate 371.41
    propylene carbonate 985.09
    n-methylformamide 721.62
    2-pentanol 1548.27
    n-pentane 553.67
    1-propoxy-2-propanol 1607.52
    1-methoxy-2-propyl acetate 1445.99
    2-(2-methoxypropoxy) propanol 587.59
    mesitylene 384.92
    ε-caprolactone 1912.49
    p-cymene 290.98
    epichlorohydrin 3338.12
    1,1,1-trichloroethane 2373.65
    2-aminoethanol 429.63
    morpholine-4-carbaldehyde 1319.21
    sulfolane 2263.94
    2,2,4-trimethylpentane 152.85
    2-methyltetrahydrofuran 4261.23
    n-hexyl acetate 996.85
    isooctane 148.67
    2-(2-butoxyethoxy)ethanol 907.36
    sec-butyl acetate 1162.58
    tert-butyl acetate 1543.56
    decalin 266.61
    glycerin 273.42
    diglyme 1833.34
    acrylic acid 403.22
    isopropyl myristate 342.73
    n-butyric acid 1711.78
    acetyl acetate 822.75
    di(2-ethylhexyl) phthalate 214.63
    ethyl propionate 1390.12
    nitromethane 1228.62
    1,2-diethoxyethane 2698.88
    benzonitrile 742.4
    trioctyl phosphate 174.35
    1-bromopropane 3047.6
    gamma-valerolactone 2513.01
    n-decanol 228.35
    triethyl phosphate 344.14
    4-methyl-2-pentanol 671.09
    propionitrile 1443.71
    vinylene carbonate 691.63
    1,1,2-trichlorotrifluoroethane 1318.27
    DMS 543.42
    cumene 293.44
    2-octanol 286.91
    2-hexanone 2111.67
    octyl acetate 376.68
    limonene 615.85
    1,2-dimethoxyethane 2391.2
    ethyl orthosilicate 380.27
    tributyl phosphate 257.91
    diacetone alcohol 1268.14
    N,N-dimethylaniline 441.91
    acrylonitrile 1186.96
    aniline 895.7
    1,3-propanediol 744.9
    bromobenzene 1126.41
    dibromomethane 3018.45
    1,1,2,2-tetrachloroethane 3125.92
    2-methyl-cyclohexyl acetate 714.24
    tetrabutyl urea 315.43
    diisobutyl methanol 530.9
    2-phenylethanol 633.55
    styrene 679.68
    dioctyl adipate 438.89
    dimethyl sulfate 403.46
    ethyl butyrate 1417.77
    methyl lactate 366.85
    butyl lactate 486.65
    diethyl carbonate 605.85
    propanediol butyl ether 504.21
    triethyl orthoformate 744.56
    p-tert-butyltoluene 282.04
    methyl 4-tert-butylbenzoate 420.97
    morpholine 3747.37
    tert-butylamine 1629.0
    n-dodecanol 168.44
    dimethoxymethane 1746.77
    ethylene carbonate 663.71
    cyrene 412.62
    2-ethoxyethyl acetate 1070.99
    2-ethylhexyl acetate 1319.61
    1,2,4-trichlorobenzene 805.82
    4-methylpyridine 1996.9
    dibutyl ether 1343.69
    2,6-dimethyl-4-heptanol 530.9
    DEF 2173.49
    dimethyl isosorbide 1012.25
    tetrachloroethylene 1885.88
    eugenol 390.84
    triacetin 623.68
    span 80 526.19
    1,4-butanediol 260.83
    1,1-dichloroethane 3328.94
    2-methyl-1-pentanol 1073.95
    methyl formate 392.02
    2-methyl-1-butanol 1375.47
    n-decane 95.11
    butyronitrile 1931.48
    3,7-dimethyl-1-octanol 481.62
    1-chlorooctane 405.05
    1-chlorotetradecane 122.34
    n-nonane 112.17
    undecane 61.18
    tert-butylcyclohexane 240.26
    cyclooctane 256.95
    cyclopentanol 1282.81
    tetrahydropyran 5123.29
    tert-amyl methyl ether 1657.8
    2,5,8-trioxanonane 998.35
    1-hexene 2402.29
    2-isopropoxyethanol 961.82
    2,2,2-trifluoroethanol 115.99
    methyl butyrate 1811.2

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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

Botanical

Name CAS Botanical Proportion
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%