(2E,6Z)-2,6-Octadienal

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  • Identifiers

    CAS number
    76917-23-2

    Molecular formula
    C8H12O

    SMILES
    C/C=C\CC/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 89.63%
    Fatty 84.99%
    Melon 63.71%
    Cucumber 62.58%
    Vegetable 61.01%
    Aldehydic 57.66%
    Citrus 56.77%
    Fresh 53.54%
    Fruity 52.8%
    Waxy 51.76%

     

    Flavor
    Green 78.92%
    Fatty 68.09%
    Cucumber 56.06%
    Melon 48.31%
    Sweet 46.82%
    Fat 46.12%
    Citrus 44.26%
    Vegetable 40.1%
    Oily 37.7%
    Orange 36.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    202°C

    Flash point

    • 70.95 ˚C est.

  • Synonyms

    • (2E,6Z)-2,6-Octadienal
    • 76917-23-2
    • EINECS 278-574-9
    • DTXSID001314440
    • RefChem:396697
    • DTXCID701744238
    • 278-574-9
    • 2E,6Z-Octadienal
    • (2E,6Z)-OCTA-2,6-DIENAL
    • (e,z)-2,6-octadienal
    • XA97AW7T5Y
    • SCHEMBL1300754
    • FEMA NO. 5003
    • 2,6-Octadienal, (2E,6Z)-
    • CBXNRMOWVZUZQA-BRXUXDTNSA-N
    • CHEBI:195673
    • LMFA06000133
    • NS00089439
    • 76917-23-2

  • Applications

    (2E,6Z)-2,6-Octadienal is primarily used as an aroma chemical in fragrance and flavor applications. It serves as a fragrance component in perfumery and as an aroma precursor in food processing. It is used in cosmetics and personal care products as a fragrance ingredient, and is also employed in household products to impart scent. In industrial manufacturing, it acts as an intermediate for the synthesis of related aroma compounds. It may also be used as a scent additive in polymer or plastics formulations, depending on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1648.36
    methanol 1738.82
    isopropanol 1133.62
    water 0.26
    ethyl acetate 1458.89
    n-propanol 1247.81
    acetone 2189.79
    n-butanol 1167.1
    acetonitrile 1047.53
    DMF 1674.82
    toluene 498.62
    isobutanol 815.19
    1,4-dioxane 1613.09
    methyl acetate 1048.1
    THF 2177.68
    2-butanone 1478.12
    n-pentanol 732.2
    sec-butanol 902.94
    n-hexane 355.47
    ethylene glycol 231.54
    NMP 1253.06
    cyclohexane 309.97
    DMSO 2560.04
    n-butyl acetate 1072.68
    n-octanol 249.63
    chloroform 1826.45
    n-propyl acetate 867.64
    acetic acid 985.9
    dichloromethane 1900.05
    cyclohexanone 1644.61
    propylene glycol 352.35
    isopropyl acetate 655.12
    DMAc 761.71
    2-ethoxyethanol 733.38
    isopentanol 814.22
    n-heptane 160.97
    ethyl formate 536.95
    1,2-dichloroethane 1606.59
    n-hexanol 897.66
    2-methoxyethanol 1293.26
    isobutyl acetate 439.07
    tetrachloromethane 366.19
    n-pentyl acetate 387.67
    transcutol 3044.8
    n-heptanol 254.77
    ethylbenzene 251.86
    MIBK 550.77
    2-propoxyethanol 1037.39
    tert-butanol 1213.13
    MTBE 1077.49
    2-butoxyethanol 432.07
    propionic acid 957.64
    o-xylene 247.93
    formic acid 226.09
    diethyl ether 1487.61
    m-xylene 329.97
    p-xylene 284.01
    chlorobenzene 655.06
    dimethyl carbonate 239.14
    n-octane 44.08
    formamide 346.5
    cyclopentanone 1871.28
    2-pentanone 1280.64
    anisole 463.7
    cyclopentyl methyl ether 1257.65
    gamma-butyrolactone 1758.88
    1-methoxy-2-propanol 996.59
    pyridine 1395.65
    3-pentanone 819.92
    furfural 1027.55
    n-dodecane 25.26
    diethylene glycol 622.92
    diisopropyl ether 333.77
    tert-amyl alcohol 885.37
    acetylacetone 957.38
    n-hexadecane 29.31
    acetophenone 401.18
    methyl propionate 967.5
    isopentyl acetate 757.05
    trichloroethylene 2433.57
    n-nonanol 208.35
    cyclohexanol 886.18
    benzyl alcohol 380.12
    2-ethylhexanol 503.9
    isooctanol 207.88
    dipropyl ether 756.58
    1,2-dichlorobenzene 531.23
    ethyl lactate 245.36
    propylene carbonate 736.84
    n-methylformamide 831.83
    2-pentanol 770.53
    n-pentane 224.75
    1-propoxy-2-propanol 827.71
    1-methoxy-2-propyl acetate 701.49
    2-(2-methoxypropoxy) propanol 423.83
    mesitylene 199.58
    ε-caprolactone 1123.75
    p-cymene 155.98
    epichlorohydrin 1693.89
    1,1,1-trichloroethane 1346.34
    2-aminoethanol 510.25
    morpholine-4-carbaldehyde 1028.11
    sulfolane 1924.82
    2,2,4-trimethylpentane 78.22
    2-methyltetrahydrofuran 1937.19
    n-hexyl acetate 521.14
    isooctane 70.5
    2-(2-butoxyethoxy)ethanol 621.6
    sec-butyl acetate 472.75
    tert-butyl acetate 653.26
    decalin 124.65
    glycerin 385.96
    diglyme 1091.08
    acrylic acid 640.4
    isopropyl myristate 184.19
    n-butyric acid 1210.85
    acetyl acetate 523.15
    di(2-ethylhexyl) phthalate 162.32
    ethyl propionate 623.92
    nitromethane 1443.54
    1,2-diethoxyethane 1110.79
    benzonitrile 534.09
    trioctyl phosphate 117.64
    1-bromopropane 1158.99
    gamma-valerolactone 1616.27
    n-decanol 151.83
    triethyl phosphate 197.64
    4-methyl-2-pentanol 333.85
    propionitrile 915.47
    vinylene carbonate 628.15
    1,1,2-trichlorotrifluoroethane 1042.83
    DMS 391.77
    cumene 158.25
    2-octanol 171.96
    2-hexanone 907.04
    octyl acetate 218.88
    limonene 296.69
    1,2-dimethoxyethane 1151.9
    ethyl orthosilicate 209.16
    tributyl phosphate 164.8
    diacetone alcohol 671.87
    N,N-dimethylaniline 273.48
    acrylonitrile 974.43
    aniline 633.19
    1,3-propanediol 714.72
    bromobenzene 698.74
    dibromomethane 1465.63
    1,1,2,2-tetrachloroethane 1826.85
    2-methyl-cyclohexyl acetate 362.22
    tetrabutyl urea 213.82
    diisobutyl methanol 272.91
    2-phenylethanol 422.92
    styrene 380.12
    dioctyl adipate 271.65
    dimethyl sulfate 385.5
    ethyl butyrate 615.55
    methyl lactate 317.9
    butyl lactate 294.99
    diethyl carbonate 325.93
    propanediol butyl ether 402.99
    triethyl orthoformate 364.15
    p-tert-butyltoluene 152.08
    methyl 4-tert-butylbenzoate 282.17
    morpholine 2071.71
    tert-butylamine 836.38
    n-dodecanol 114.82
    dimethoxymethane 922.65
    ethylene carbonate 537.73
    cyrene 316.47
    2-ethoxyethyl acetate 522.41
    2-ethylhexyl acetate 567.99
    1,2,4-trichlorobenzene 572.05
    4-methylpyridine 1155.68
    dibutyl ether 529.54
    2,6-dimethyl-4-heptanol 272.91
    DEF 1182.5
    dimethyl isosorbide 678.18
    tetrachloroethylene 1228.78
    eugenol 307.54
    triacetin 408.54
    span 80 390.91
    1,4-butanediol 255.35
    1,1-dichloroethane 1575.66
    2-methyl-1-pentanol 566.05
    methyl formate 504.77
    2-methyl-1-butanol 761.41
    n-decane 48.95
    butyronitrile 1021.58
    3,7-dimethyl-1-octanol 282.53
    1-chlorooctane 203.74
    1-chlorotetradecane 72.67
    n-nonane 54.28
    undecane 34.14
    tert-butylcyclohexane 119.14
    cyclooctane 92.89
    cyclopentanol 927.8
    tetrahydropyran 2204.48
    tert-amyl methyl ether 694.67
    2,5,8-trioxanonane 699.39
    1-hexene 913.03
    2-isopropoxyethanol 528.38
    2,2,2-trifluoroethanol 215.84
    methyl butyrate 853.63

    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