2,4-Octadienal, (E,Z)-

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  • Identifiers

    CAS number
    33819-10-2

    Molecular formula
    C8H12O

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

  • Odor profile

    Fatty 90.7%
    Green 87.31%
    Fruity 71.03%
    Melon 61.03%
    Citrus 59.83%
    Waxy 58.54%
    Aldehydic 58.28%
    Vegetable 58.03%
    Cucumber 57.39%
    Oily 56.89%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.68 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point est.
    69.7 ˚C

  • Synonyms

    • 2E,4Z-Octadienal
    • 2,4-Octadienal, (E,Z)-
    • (2E,4Z)-2,4-Octadienal
    • 33819-10-2
    • trans-2,cis-4-Octadienal
    • JYH5H5F54D
    • 2,4-Octadienal, (2E,4Z)-
    • (2E,4Z)-octa-2,4-dienal
    • (E,Z)-2,4-octadienal
    • UNII-JYH5H5F54D
    • SCHEMBL1172622
    • CHEBI:195672
    • DVVATNQISMINCX-SCFJQAPRSA-N
    • LMFA06000132

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2700.28
    methanol 2953.35
    isopropanol 1739.55
    water 0.2
    ethyl acetate 2276.91
    n-propanol 1889.91
    acetone 4385.41
    n-butanol 1716.27
    acetonitrile 1677.7
    DMF 3198.93
    toluene 762.23
    isobutanol 1231.94
    1,4-dioxane 1956.94
    methyl acetate 1738.7
    THF 3510.05
    2-butanone 2636.97
    n-pentanol 1046.3
    sec-butanol 1342.1
    n-hexane 416.95
    ethylene glycol 359.32
    NMP 2475.48
    cyclohexane 344.49
    DMSO 5216.26
    n-butyl acetate 1749.72
    n-octanol 370.02
    chloroform 2548.67
    n-propyl acetate 1341.56
    acetic acid 1490.28
    dichloromethane 3209.37
    cyclohexanone 2780.0
    propylene glycol 543.42
    isopropyl acetate 1033.59
    DMAc 1403.15
    2-ethoxyethanol 1060.17
    isopentanol 1215.05
    n-heptane 186.13
    ethyl formate 873.3
    1,2-dichloroethane 2671.86
    n-hexanol 1275.16
    2-methoxyethanol 2127.27
    isobutyl acetate 676.64
    tetrachloromethane 484.67
    n-pentyl acetate 636.01
    transcutol 4568.79
    n-heptanol 350.88
    ethylbenzene 359.36
    MIBK 921.74
    2-propoxyethanol 1532.28
    tert-butanol 1738.01
    MTBE 1646.24
    2-butoxyethanol 614.71
    propionic acid 1438.92
    o-xylene 374.08
    formic acid 335.47
    diethyl ether 2052.1
    m-xylene 504.22
    p-xylene 412.98
    chlorobenzene 1006.57
    dimethyl carbonate 439.88
    n-octane 54.29
    formamide 597.63
    cyclopentanone 3489.68
    2-pentanone 2273.3
    anisole 722.69
    cyclopentyl methyl ether 2005.89
    gamma-butyrolactone 3073.71
    1-methoxy-2-propanol 1587.91
    pyridine 2104.29
    3-pentanone 1387.51
    furfural 1678.67
    n-dodecane 32.85
    diethylene glycol 894.53
    diisopropyl ether 478.21
    tert-amyl alcohol 1291.19
    acetylacetone 1714.71
    n-hexadecane 38.4
    acetophenone 644.57
    methyl propionate 1702.18
    isopentyl acetate 1229.65
    trichloroethylene 4135.73
    n-nonanol 297.88
    cyclohexanol 1298.49
    benzyl alcohol 584.68
    2-ethylhexanol 698.69
    isooctanol 282.52
    dipropyl ether 1025.17
    1,2-dichlorobenzene 796.47
    ethyl lactate 360.31
    propylene carbonate 1237.61
    n-methylformamide 1533.84
    2-pentanol 1116.01
    n-pentane 281.5
    1-propoxy-2-propanol 1240.03
    1-methoxy-2-propyl acetate 1093.72
    2-(2-methoxypropoxy) propanol 597.44
    mesitylene 297.44
    ε-caprolactone 1805.49
    p-cymene 223.62
    epichlorohydrin 2965.24
    1,1,1-trichloroethane 2024.0
    2-aminoethanol 803.03
    morpholine-4-carbaldehyde 1691.47
    sulfolane 3588.83
    2,2,4-trimethylpentane 100.07
    2-methyltetrahydrofuran 3120.45
    n-hexyl acetate 866.72
    isooctane 96.19
    2-(2-butoxyethoxy)ethanol 895.61
    sec-butyl acetate 738.02
    tert-butyl acetate 1045.76
    decalin 160.33
    glycerin 566.95
    diglyme 1581.9
    acrylic acid 977.79
    isopropyl myristate 273.46
    n-butyric acid 1851.78
    acetyl acetate 801.35
    di(2-ethylhexyl) phthalate 235.93
    ethyl propionate 971.99
    nitromethane 2579.68
    1,2-diethoxyethane 1635.92
    benzonitrile 837.51
    trioctyl phosphate 174.3
    1-bromopropane 1766.35
    gamma-valerolactone 2703.11
    n-decanol 215.22
    triethyl phosphate 280.44
    4-methyl-2-pentanol 469.95
    propionitrile 1352.02
    vinylene carbonate 1001.27
    1,1,2-trichlorotrifluoroethane 1700.24
    DMS 633.93
    cumene 231.39
    2-octanol 246.2
    2-hexanone 1478.8
    octyl acetate 333.63
    limonene 429.03
    1,2-dimethoxyethane 1743.83
    ethyl orthosilicate 294.98
    tributyl phosphate 256.28
    diacetone alcohol 1103.69
    N,N-dimethylaniline 414.42
    acrylonitrile 1595.04
    aniline 972.32
    1,3-propanediol 1074.1
    bromobenzene 1119.89
    dibromomethane 2327.22
    1,1,2,2-tetrachloroethane 2879.95
    2-methyl-cyclohexyl acetate 546.06
    tetrabutyl urea 339.87
    diisobutyl methanol 372.9
    2-phenylethanol 618.67
    styrene 555.12
    dioctyl adipate 395.14
    dimethyl sulfate 698.81
    ethyl butyrate 941.07
    methyl lactate 522.9
    butyl lactate 461.19
    diethyl carbonate 476.52
    propanediol butyl ether 642.14
    triethyl orthoformate 514.93
    p-tert-butyltoluene 216.04
    methyl 4-tert-butylbenzoate 403.7
    morpholine 2805.0
    tert-butylamine 1148.12
    n-dodecanol 161.29
    dimethoxymethane 1641.31
    ethylene carbonate 821.69
    cyrene 462.25
    2-ethoxyethyl acetate 855.55
    2-ethylhexyl acetate 900.0
    1,2,4-trichlorobenzene 905.4
    4-methylpyridine 1952.74
    dibutyl ether 766.64
    2,6-dimethyl-4-heptanol 372.9
    DEF 2034.26
    dimethyl isosorbide 978.51
    tetrachloroethylene 1860.44
    eugenol 447.97
    triacetin 611.83
    span 80 549.21
    1,4-butanediol 385.98
    1,1-dichloroethane 2480.65
    2-methyl-1-pentanol 816.47
    methyl formate 942.19
    2-methyl-1-butanol 1136.29
    n-decane 61.24
    butyronitrile 1512.94
    3,7-dimethyl-1-octanol 417.16
    1-chlorooctane 292.45
    1-chlorotetradecane 100.71
    n-nonane 67.09
    undecane 43.87
    tert-butylcyclohexane 162.82
    cyclooctane 112.03
    cyclopentanol 1481.84
    tetrahydropyran 2959.03
    tert-amyl methyl ether 1063.35
    2,5,8-trioxanonane 962.8
    1-hexene 1223.66
    2-isopropoxyethanol 772.28
    2,2,2-trifluoroethanol 307.59
    methyl butyrate 1380.07

    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
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.1%