2,4,6-Nonatrienal, (2E,4E,6Z)-

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  • Identifiers

    CAS number
    56269-22-8

    Molecular formula
    C9H12O

    SMILES
    CCC=CC=CC=CC=O

  • Odor profile

    Fatty 87.69%
    Green 80.01%
    Citrus 56.88%
    Oily 56.61%
    Melon 54.67%
    Cucumber 51.97%
    Sweet 48.63%
    Waxy 47.45%
    Aldehydic 46.15%
    Vegetable 45.98%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.62 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point est.
    92.17 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 56269-22-8
    • NONA-2,4,6-TRIENAL
    • 2,4,6-Nonatrienal
    • 2,4,6-Nonatrienal, (2E,4E,6Z)-
    • 2,4,6-nonatrien-1-al
    • nonatrienal
    • DTXSID0069090
    • XHDSWFFUGPJMMN-UHFFFAOYSA-N
    • HCA01853
    • AKOS030254957
    • DB-250845

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1267.34
    methanol 1169.21
    isopropanol 838.33
    water 0.09
    ethyl acetate 1230.96
    n-propanol 901.79
    acetone 1854.8
    n-butanol 828.73
    acetonitrile 910.2
    DMF 1516.65
    toluene 460.81
    isobutanol 565.91
    1,4-dioxane 1208.92
    methyl acetate 942.67
    THF 1795.49
    2-butanone 1353.89
    n-pentanol 583.3
    sec-butanol 668.66
    n-hexane 315.08
    ethylene glycol 156.14
    NMP 1056.44
    cyclohexane 258.41
    DMSO 2292.84
    n-butyl acetate 936.47
    n-octanol 205.78
    chloroform 1713.88
    n-propyl acetate 771.91
    acetic acid 648.36
    dichloromethane 1925.22
    cyclohexanone 1386.02
    propylene glycol 263.73
    isopropyl acetate 568.64
    DMAc 780.2
    2-ethoxyethanol 589.13
    isopentanol 606.39
    n-heptane 139.22
    ethyl formate 425.91
    1,2-dichloroethane 1617.13
    n-hexanol 706.17
    2-methoxyethanol 1017.17
    isobutyl acetate 407.58
    tetrachloromethane 262.46
    n-pentyl acetate 340.78
    transcutol 2665.98
    n-heptanol 196.91
    ethylbenzene 243.85
    MIBK 496.18
    2-propoxyethanol 845.53
    tert-butanol 903.33
    MTBE 889.36
    2-butoxyethanol 344.52
    propionic acid 632.66
    o-xylene 216.82
    formic acid 117.62
    diethyl ether 1340.44
    m-xylene 283.77
    p-xylene 263.16
    chlorobenzene 541.88
    dimethyl carbonate 220.11
    n-octane 40.25
    formamide 230.54
    cyclopentanone 1555.44
    2-pentanone 1115.72
    anisole 449.52
    cyclopentyl methyl ether 1003.17
    gamma-butyrolactone 1340.03
    1-methoxy-2-propanol 825.4
    pyridine 1202.99
    3-pentanone 730.64
    furfural 811.35
    n-dodecane 25.0
    diethylene glycol 473.05
    diisopropyl ether 297.98
    tert-amyl alcohol 659.65
    acetylacetone 834.19
    n-hexadecane 29.2
    acetophenone 400.08
    methyl propionate 868.84
    isopentyl acetate 691.76
    trichloroethylene 2325.26
    n-nonanol 177.35
    cyclohexanol 634.52
    benzyl alcohol 344.21
    2-ethylhexanol 406.29
    isooctanol 168.25
    dipropyl ether 690.03
    1,2-dichlorobenzene 449.65
    ethyl lactate 221.85
    propylene carbonate 608.13
    n-methylformamide 612.53
    2-pentanol 585.43
    n-pentane 200.8
    1-propoxy-2-propanol 704.74
    1-methoxy-2-propyl acetate 610.78
    2-(2-methoxypropoxy) propanol 382.55
    mesitylene 171.9
    ε-caprolactone 892.33
    p-cymene 138.96
    epichlorohydrin 1516.01
    1,1,1-trichloroethane 1170.53
    2-aminoethanol 355.11
    morpholine-4-carbaldehyde 902.47
    sulfolane 1571.87
    2,2,4-trimethylpentane 65.12
    2-methyltetrahydrofuran 1499.7
    n-hexyl acetate 459.66
    isooctane 60.68
    2-(2-butoxyethoxy)ethanol 540.23
    sec-butyl acetate 437.49
    tert-butyl acetate 564.21
    decalin 113.23
    glycerin 275.19
    diglyme 991.4
    acrylic acid 412.79
    isopropyl myristate 175.67
    n-butyric acid 873.7
    acetyl acetate 433.93
    di(2-ethylhexyl) phthalate 145.67
    ethyl propionate 577.98
    nitromethane 1139.06
    1,2-diethoxyethane 1024.32
    benzonitrile 466.86
    trioctyl phosphate 104.73
    1-bromopropane 1167.82
    gamma-valerolactone 1269.21
    n-decanol 130.55
    triethyl phosphate 183.96
    4-methyl-2-pentanol 264.26
    propionitrile 734.09
    vinylene carbonate 503.59
    1,1,2-trichlorotrifluoroethane 877.0
    DMS 375.6
    cumene 151.51
    2-octanol 135.21
    2-hexanone 838.01
    octyl acetate 208.07
    limonene 256.64
    1,2-dimethoxyethane 1041.93
    ethyl orthosilicate 191.39
    tributyl phosphate 147.99
    diacetone alcohol 569.23
    N,N-dimethylaniline 270.33
    acrylonitrile 812.65
    aniline 517.84
    1,3-propanediol 490.33
    bromobenzene 617.14
    dibromomethane 1476.14
    1,1,2,2-tetrachloroethane 1714.56
    2-methyl-cyclohexyl acetate 336.4
    tetrabutyl urea 203.3
    diisobutyl methanol 229.25
    2-phenylethanol 355.55
    styrene 357.87
    dioctyl adipate 253.45
    dimethyl sulfate 366.63
    ethyl butyrate 553.71
    methyl lactate 270.68
    butyl lactate 253.12
    diethyl carbonate 307.28
    propanediol butyl ether 326.46
    triethyl orthoformate 327.39
    p-tert-butyltoluene 134.25
    methyl 4-tert-butylbenzoate 259.3
    morpholine 1561.84
    tert-butylamine 623.2
    n-dodecanol 101.64
    dimethoxymethane 875.16
    ethylene carbonate 418.69
    cyrene 280.42
    2-ethoxyethyl acetate 462.11
    2-ethylhexyl acetate 504.24
    1,2,4-trichlorobenzene 502.09
    4-methylpyridine 1061.62
    dibutyl ether 485.9
    2,6-dimethyl-4-heptanol 229.25
    DEF 1087.19
    dimethyl isosorbide 599.04
    tetrachloroethylene 1052.76
    eugenol 277.31
    triacetin 369.0
    span 80 330.48
    1,4-butanediol 186.02
    1,1-dichloroethane 1480.65
    2-methyl-1-pentanol 472.71
    methyl formate 382.0
    2-methyl-1-butanol 587.67
    n-decane 46.61
    butyronitrile 831.39
    3,7-dimethyl-1-octanol 247.26
    1-chlorooctane 191.36
    1-chlorotetradecane 70.61
    n-nonane 51.01
    undecane 33.17
    tert-butylcyclohexane 107.94
    cyclooctane 80.25
    cyclopentanol 624.61
    tetrahydropyran 1701.95
    tert-amyl methyl ether 607.89
    2,5,8-trioxanonane 647.8
    1-hexene 876.01
    2-isopropoxyethanol 449.82
    2,2,2-trifluoroethanol 138.18
    methyl butyrate 787.59

    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