2,4-Dodecadienal, (2E,4E)-

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  • Identifiers

    CAS number
    21662-16-8

    Molecular formula
    C12H20O

    SMILES
    CCCCCCC/C=C/C=C/C=O

    Safety labels

    Irritant
    Irritant

  • 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

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 130.00 °C. @ 6.00 mm Hg

    Flash point est.
    119.44 ˚C

    Solubility expt.

    • Slightly soluble in water; miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • 21662-16-8
    • (E,E)-2,4-dodecadienal
    • (2E,4E)-Dodeca-2,4-dienal
    • Trans,trans-2,4-dodecadienal
    • (2E,4E)-2,4-Dodecadienal
    • 2,4-Dodecadienal
    • (E,E)-2,4-Dodecadien-1-al
    • 2,4-Dodecadienal, (E,E)-
    • 2,4-Dodecadienal, (2E,4E)-
    • (trans,trans)-2,4-Dodecadienal
    • FEMA No. 3670
    • 2,4-Dodecadien-1-al
    • 2,4-Dodecadienal, trans,trans-
    • VO340RJ9LU
    • DTXSID80885175
    • EINECS 244-517-1
    • 2-TRANS-4-TRANS-DODECADIENAL
    • 2,4-DODECADIEN-1-AL, (E,E)-
    • 2e,4e-dodecadienal
    • MFCD00014678
    • UNII-VO340RJ9LU
    • SCHEMBL229448
    • SCHEMBL229806
    • FEMA 3670
    • DTXCID80909724
    • CHEBI:171898
    • AKOS015902294
    • AS-76766
    • NS00076574
    • 2,4-Dodecadienal, technical, >=90% (GC)
    • EN300-303371
    • TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)-
    • Q27291932
    • TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)-[FHFI]
    • TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)- [FHFI]

  • Applications

    2,4-Dodecadienal (CAS 21662-16-8) is an unsaturated aldehyde with a strong citrus-like odour that is widely employed as a flavour enhancer, modifier and fixative in beverages, confectionery, baked goods and instant soups; as a fresh green top note in cosmetics and fine fragrances; as a semiochemical component of insect pheromone blends for environmentally friendly pest monitoring and control in agriculture; as an intermediate in pharmaceutical synthesis and a reference standard for studies on plant volatiles; and as a natural antimicrobial and antioxidant additive for bio-based food packaging thanks to its potent microbicidal and anti-oxidative activities.

  • 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

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
2,4-Dienals should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.5%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.3%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.01%
Porophyllum ruderale (Brazil) 1a leaf Porophyllum ruderale Cass, fam. Asteraceae (Compositae) 15.5%