2-Dodecenal

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  • Identifiers

    CAS number
    20407-84-5

    Molecular formula
    C12H22O

    SMILES
    CCCCCCCCC/C=C/C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1469.0
    • Carbowax: 1854.6

  • Odor profile

    Fatty 84.1%
    Citrus 82.29%
    Waxy 79.58%
    Green 77.32%
    Aldehydic 71.24%
    Fruity 71.16%
    Orange 66.61%
    Floral 60.75%
    Fresh 57.63%
    Cucumber 53.25%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 73.00 to 74.00 °C. @ 0.50 mm Hg

    Flash point est.
    112.14 ˚C

    Solubility expt.

    • Soluble in most fixed oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Dodecenal
    • 20407-84-5
    • 2-DODECENAL
    • (E)-dodec-2-enal
    • 2-Dodecenal, (2E)-
    • (E)-2-Dodecen-1-al
    • trans-2-Dodecen-1-al
    • 2-Dodecenal, (E)-
    • (E)-Dodec-2-en-1-al
    • beta-Octyl acrolein
    • Dodecenal
    • Dodec-2-en-1-al
    • (E)-2-dodecenal
    • 2-Dodecen-1-al
    • 4826-62-4
    • (2E)-2-Dodecenal
    • FEMA No. 2402
    • dodec-2-enal
    • trans-Dodec-2-enal
    • (2E)-dodec-2-enal
    • DODECEN-(2)-OL-(1)
    • 1D55O81P4E
    • 82107-89-9
    • 3-Nonylacrolein
    • 2-Dodecenal (natural)
    • MFCD00014674
    • EINECS 225-402-5
    • NSC 22287
    • eryngial
    • UNII-1D55O81P4E
    • AI3-36266
    • NSC-22287
    • (2e)-dodecenal
    • 2(E)-Dodecenal
    • EINECS 243-797-2
    • 2-Dodecenal,(2E)-
    • 2-DODECENAL [FHFI]
    • SCHEMBL29549
    • CHEMBL2228452
    • DTXSID2051847
    • FEMA 2402
    • CHEBI:133741
    • LMFA06000072
    • AKOS015902263
    • (E)-2-DODECEN-1-AL [FCC]
    • HY-W111720
    • LS-14136
    • DB-246803
    • DB-321761
    • CS-0181250
    • D2068
    • NS00075803
    • trans-2-Dodecenal, >=95%, stabilized, FG
    • trans-2-Dodecenal, 10% in Triethyl citrate
    • D89988
    • Q27252265

  • Applications

    Trans-2-Dodecenal (CAS 20407-84-5) is a straight-chain aldehyde naturally present in cilantro leaves, citrus peels and various herbs, characterized by a fresh, green-citrus aroma that makes it a popular flavouring ingredient in beverages, candies, baked goods, salad dressings and seafood marinades while adding a crisp “fresh cut” nuance to alcohol-free recipes; in perfumery it is blended with woody, herbal and ozonic notes to give depth to fine fragrances, soaps, deodorants, scented candles and personal-care products; in household chemistry it helps mask unpleasant odours in detergents, dishwashing liquids and furniture polishes; researchers also exploit its antibacterial, antifungal and insect pheromone-mimicking properties to develop food-preservation systems, crop protection agents and bio-trapping lures; moreover, trans-2-Dodecenal serves as an analytical standard in GC-MS quantification of flavour residues and as a versatile intermediate for synthesising higher-value aldehydes, fatty acids and alcohols.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2086.09
    methanol 1385.9
    isopropanol 2359.1
    water 0.01
    ethyl acetate 3113.18
    n-propanol 2066.08
    acetone 4084.42
    n-butanol 2050.51
    acetonitrile 1381.11
    DMF 1758.25
    toluene 1123.04
    isobutanol 1516.37
    1,4-dioxane 2665.04
    methyl acetate 1555.3
    THF 5725.59
    2-butanone 3419.36
    n-pentanol 1486.55
    sec-butanol 1941.48
    n-hexane 1521.98
    ethylene glycol 82.7
    NMP 1358.55
    cyclohexane 1788.79
    DMSO 3088.23
    n-butyl acetate 2875.41
    n-octanol 481.52
    chloroform 3411.64
    n-propyl acetate 2249.38
    acetic acid 671.61
    dichloromethane 4078.35
    cyclohexanone 4040.05
    propylene glycol 255.43
    isopropyl acetate 1923.72
    DMAc 1029.87
    2-ethoxyethanol 1231.29
    isopentanol 1895.91
    n-heptane 703.42
    ethyl formate 883.21
    1,2-dichloroethane 3806.22
    n-hexanol 1741.45
    2-methoxyethanol 1848.83
    isobutyl acetate 1204.72
    tetrachloromethane 741.01
    n-pentyl acetate 1211.32
    transcutol 4607.73
    n-heptanol 543.21
    ethylbenzene 618.63
    MIBK 1756.05
    2-propoxyethanol 1934.96
    tert-butanol 2651.33
    MTBE 3272.8
    2-butoxyethanol 895.23
    propionic acid 827.9
    o-xylene 541.01
    formic acid 76.73
    diethyl ether 4645.92
    m-xylene 706.06
    p-xylene 658.94
    chlorobenzene 1173.5
    dimethyl carbonate 269.35
    n-octane 175.98
    formamide 169.01
    cyclopentanone 3429.42
    2-pentanone 3597.19
    anisole 881.24
    cyclopentyl methyl ether 3463.89
    gamma-butyrolactone 2518.66
    1-methoxy-2-propanol 1918.39
    pyridine 2405.12
    3-pentanone 1977.03
    furfural 1412.22
    n-dodecane 70.78
    diethylene glycol 639.76
    diisopropyl ether 1262.52
    tert-amyl alcohol 1857.58
    acetylacetone 1951.2
    n-hexadecane 86.19
    acetophenone 756.59
    methyl propionate 1671.32
    isopentyl acetate 2212.99
    trichloroethylene 4332.46
    n-nonanol 434.96
    cyclohexanol 2031.48
    benzyl alcohol 629.99
    2-ethylhexanol 1242.8
    isooctanol 515.06
    dipropyl ether 2880.22
    1,2-dichlorobenzene 972.43
    ethyl lactate 439.05
    propylene carbonate 1219.63
    n-methylformamide 714.48
    2-pentanol 1825.89
    n-pentane 902.79
    1-propoxy-2-propanol 1917.66
    1-methoxy-2-propyl acetate 1642.61
    2-(2-methoxypropoxy) propanol 654.44
    mesitylene 486.89
    ε-caprolactone 2439.56
    p-cymene 394.94
    epichlorohydrin 3595.14
    1,1,1-trichloroethane 3066.26
    2-aminoethanol 353.7
    morpholine-4-carbaldehyde 1443.1
    sulfolane 2665.21
    2,2,4-trimethylpentane 218.97
    2-methyltetrahydrofuran 5097.42
    n-hexyl acetate 1313.21
    isooctane 220.8
    2-(2-butoxyethoxy)ethanol 1013.46
    sec-butyl acetate 1419.69
    tert-butyl acetate 1871.87
    decalin 398.27
    glycerin 239.8
    diglyme 2048.24
    acrylic acid 417.31
    isopropyl myristate 459.3
    n-butyric acid 2029.71
    acetyl acetate 920.23
    di(2-ethylhexyl) phthalate 264.5
    ethyl propionate 1701.1
    nitromethane 1225.68
    1,2-diethoxyethane 2928.86
    benzonitrile 895.97
    trioctyl phosphate 228.57
    1-bromopropane 3700.18
    gamma-valerolactone 3033.32
    n-decanol 305.96
    triethyl phosphate 443.89
    4-methyl-2-pentanol 846.91
    propionitrile 1624.48
    vinylene carbonate 848.84
    1,1,2-trichlorotrifluoroethane 1411.09
    DMS 591.32
    cumene 363.48
    2-octanol 418.41
    2-hexanone 2462.45
    octyl acetate 500.2
    limonene 852.59
    1,2-dimethoxyethane 2732.13
    ethyl orthosilicate 488.69
    tributyl phosphate 334.22
    diacetone alcohol 1459.43
    N,N-dimethylaniline 516.95
    acrylonitrile 1264.78
    aniline 985.93
    1,3-propanediol 697.49
    bromobenzene 1419.7
    dibromomethane 3410.19
    1,1,2,2-tetrachloroethane 3583.59
    2-methyl-cyclohexyl acetate 929.89
    tetrabutyl urea 405.82
    diisobutyl methanol 733.37
    2-phenylethanol 736.47
    styrene 807.55
    dioctyl adipate 565.52
    dimethyl sulfate 402.45
    ethyl butyrate 1836.03
    methyl lactate 372.82
    butyl lactate 636.85
    diethyl carbonate 776.37
    propanediol butyl ether 571.64
    triethyl orthoformate 989.26
    p-tert-butyltoluene 385.09
    methyl 4-tert-butylbenzoate 537.72
    morpholine 4037.67
    tert-butylamine 2046.21
    n-dodecanol 229.86
    dimethoxymethane 1725.63
    ethylene carbonate 855.33
    cyrene 470.5
    2-ethoxyethyl acetate 1256.83
    2-ethylhexyl acetate 1711.44
    1,2,4-trichlorobenzene 975.58
    4-methylpyridine 2235.26
    dibutyl ether 1840.07
    2,6-dimethyl-4-heptanol 733.37
    DEF 2428.03
    dimethyl isosorbide 1173.34
    tetrachloroethylene 2243.32
    eugenol 463.6
    triacetin 742.31
    span 80 634.79
    1,4-butanediol 247.07
    1,1-dichloroethane 3982.31
    2-methyl-1-pentanol 1197.18
    methyl formate 391.76
    2-methyl-1-butanol 1541.86
    n-decane 164.93
    butyronitrile 2328.52
    3,7-dimethyl-1-octanol 641.38
    1-chlorooctane 605.2
    1-chlorotetradecane 181.69
    n-nonane 199.04
    undecane 101.82
    tert-butylcyclohexane 348.51
    cyclooctane 465.28
    cyclopentanol 1683.27
    tetrahydropyran 6100.34
    tert-amyl methyl ether 1948.41
    2,5,8-trioxanonane 1106.44
    1-hexene 3237.07
    2-isopropoxyethanol 1048.45
    2,2,2-trifluoroethanol 126.08
    methyl butyrate 2237.37

    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

Botanical

Name CAS Botanical Proportion
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 10.3%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Coriander fruit (Finland) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.44%
Coriander fruit (Finland) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.25%
Cilantro (Coriander leaf) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.5%
Cilantro (Coriander leaf) 4 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.75%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 15.6%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 21.6%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 59.72%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 3.9%
Clementine (Italy) 3a Citrus clementina Hort. ex Tan., cultivar Oroval, fam. Rutaceae 0.02%
Clementine (Italy) 3b Citrus clementina Hort. ex Tan., cultivar Monreal, fam. Rutaceae 0.02%
Clementine (Italy) 3c Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.03%
Bactris gasipaes fruit Bactris gasipaes H.B.K., fam. Arecaceae 1.8%
Clementine (Uruguay) 1a Citrus clementina Hort. ex Tan., cultivar Nules, fam. Rutaceae 0.01%
Clementine (Uruguay) 1b Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.01%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 5.81%
Cilantro (Coriander leaf) 6a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.8%
Cilantro (Coriander leaf) 6b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 8.8%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 1.7%
Mandarin (Uruguay) 3 8008-31-9 Citrus deliciosa Tenore cv. Nova (C. reticulata Blanco), fam. Rutaceae 0.01%
Cilantro (Coriander leaf) 7 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 9.1%
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.1%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%
Tangerine (Vietnam) 8008-31-9 Citrus reticulata Blanco, cultivar Tangerine, fam. Rutaceae 0.02%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%