trans-2,cis-6-Nonadienal

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  • Identifiers

    CAS number
    557-48-2

    Molecular formula
    C9H14O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1150.33
    • Carbowax: 1578.5

  • Odor profile

    Fragrance
    Green 88.92%
    Fatty 87.8%
    Cucumber 68.9%
    Melon 68.82%
    Citrus 60.68%
    Vegetable 59.4%
    Waxy 56.82%
    Aldehydic 56.67%
    Fresh 54.11%
    Fruity 50.17%

     

    Flavor
    Green 72.31%
    Fatty 71.28%
    Cucumber 58.93%
    Melon 53.26%
    Fat 42.26%
    Citrus 41.03%
    Oily 38.01%
    Orange 36.35%
    Waxy 36.0%
    Fresh 35.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 94.00 to 95.00 °C. @ 18.00 mm Hg

    Flash point

    • 85.86 ˚C est.

    Solubility expt.

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

  • Synonyms

    • trans-2,cis-6-Nonadienal
    • 557-48-2
    • trans,cis-2,6-Nonadienal
    • (2E,6Z)-nona-2,6-dienal
    • Violet leaf aldehyde
    • Cucumber aldehyde
    • 2,6-Nonadienal, (2E,6Z)-
    • (E,Z)-2,6-nonadienal
    • (2E,6Z)-Nonadienal
    • (2E,6Z)-Nona-2,6-dien-1-al
    • (2E,6Z)-2,6-Nonadienal
    • Nona-2,6-dienal
    • 2-trans-6-cis-Nonadien-1-al
    • 2,6-NONADIENAL, (E,Z)-
    • 2-trans-6-cis-Nonadienal
    • trans-2-cis-6-Nonadienal
    • Nonadien-2(trans)-6-(cis)-al
    • FEMA No. 3377
    • 2E,6Z-nonadienal
    • nona-2t,6c-dienal
    • nona-2-trans-6-cis-dienal
    • 2,6-Nonadienal, trans,cis-
    • CCRIS 4502
    • EINECS 209-178-6
    • t2,c6-Nonadienal
    • Violet-leaf aldehyde
    • BRN 1720980
    • nonadien-(2t.6c)-al-(1)
    • (E,Z)-2,6-nonadien-1-al
    • AI3-36037
    • 2,6-(E,Z)-Nonadienal
    • 93E895X03C
    • Nona-2,6(E,Z)-dienal
    • nona-trans-2,cis-6-dienal
    • (E,Z)-nona-2,6-dienal
    • (e)-2,(z)-6-nonadienal
    • Nona-2(E),6(Z)-dienal
    • CHEBI:7610
    • trans,cis-2,6-Nonadien-1-al
    • DTXSID1047104
    • 2-(trans)-6-(cis)-Nonadienal
    • 4-01-00-03560 (Beilstein Handbook Reference)
    • (E),(Z)-2,6-NONADIENAL
    • NONADIENAL, 2-TRANS-6-CIS-
    • (E),(Z)-2,6-NONADIENAL [FCC]
    • NONA-2-TRANS,-6-CIS-DIENAL [FHFI]
    • FEMA 3377
    • UNII-93E895X03C
    • MFCD00007009
    • Z)-2,6-Nonadienal
    • 2E,6Z-Nonadien-1-al
    • SCHEMBL170185
    • trans-2,cis-6-nonadien-1-al
    • (2E,6Z)-non-2,6-dienal
    • (2E,6Z)-2,6-Nonadienal #
    • DTXCID701767739
    • trans-2,cis-6-Nonadienal, 95%
    • LMFA06000117
    • MFCD00209523
    • NONA-2-TRANS,-6-CIS-DIENAL
    • AKOS015950857
    • FN02650
    • HY-W127515
    • CS-0185742
    • N0836
    • NS00013028
    • trans-2,cis-6-Nonadienal, analytical standard
    • C08499
    • D95362
    • Q158544
    • 247-632-5

  • Applications

    trans-2,cis-6-Nonadienal (CAS 557-48-2) is an unsaturated aldehyde primarily used as an aroma chemical. In perfumery and fragrance applications, it contributes marine/fresh notes and may serve as a note component in formulations. In flavor formulations, it may be evaluated for seafood or marine flavor profiles in processed foods and flavorings. In cosmetics and personal care, it may be used as a fragrance ingredient in limited concentrations. In household products and cleaners, it can be incorporated as an odorant to enhance the overall scent. In industrial manufacturing, it can function as an intermediate or building block in the synthesis of other aroma compounds, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1664.75
    methanol 1579.17
    isopropanol 1217.01
    water 0.08
    ethyl acetate 1484.54
    n-propanol 1278.52
    acetone 2242.33
    n-butanol 1204.96
    acetonitrile 1038.98
    DMF 1489.38
    toluene 546.46
    isobutanol 846.39
    1,4-dioxane 1637.78
    methyl acetate 993.53
    THF 2435.71
    2-butanone 1513.27
    n-pentanol 807.79
    sec-butanol 923.37
    n-hexane 536.01
    ethylene glycol 166.07
    NMP 1083.09
    cyclohexane 467.21
    DMSO 2464.57
    n-butyl acetate 1188.37
    n-octanol 273.95
    chloroform 1955.19
    n-propyl acetate 941.75
    acetic acid 762.84
    dichloromethane 2114.68
    cyclohexanone 1745.03
    propylene glycol 286.43
    isopropyl acetate 730.93
    DMAc 693.12
    2-ethoxyethanol 732.12
    isopentanol 893.98
    n-heptane 221.01
    ethyl formate 507.46
    1,2-dichloroethane 1840.21
    n-hexanol 977.81
    2-methoxyethanol 1237.57
    isobutyl acetate 504.79
    tetrachloromethane 378.65
    n-pentyl acetate 448.59
    transcutol 3052.78
    n-heptanol 274.92
    ethylbenzene 285.14
    MIBK 643.32
    2-propoxyethanol 1101.75
    tert-butanol 1299.17
    MTBE 1234.84
    2-butoxyethanol 459.81
    propionic acid 766.21
    o-xylene 259.15
    formic acid 135.03
    diethyl ether 1918.45
    m-xylene 346.82
    p-xylene 310.58
    chlorobenzene 650.77
    dimethyl carbonate 206.36
    n-octane 62.1
    formamide 227.94
    cyclopentanone 1805.03
    2-pentanone 1426.07
    anisole 475.36
    cyclopentyl methyl ether 1381.46
    gamma-butyrolactone 1552.72
    1-methoxy-2-propanol 1017.44
    pyridine 1390.31
    3-pentanone 855.57
    furfural 912.31
    n-dodecane 34.43
    diethylene glycol 584.35
    diisopropyl ether 430.5
    tert-amyl alcohol 886.81
    acetylacetone 959.24
    n-hexadecane 40.45
    acetophenone 415.34
    methyl propionate 921.97
    isopentyl acetate 884.39
    trichloroethylene 2446.68
    n-nonanol 232.2
    cyclohexanol 912.99
    benzyl alcohol 385.55
    2-ethylhexanol 559.33
    isooctanol 234.03
    dipropyl ether 943.63
    1,2-dichlorobenzene 532.79
    ethyl lactate 251.08
    propylene carbonate 688.07
    n-methylformamide 651.0
    2-pentanol 843.39
    n-pentane 332.97
    1-propoxy-2-propanol 925.38
    1-methoxy-2-propyl acetate 742.87
    2-(2-methoxypropoxy) propanol 441.48
    mesitylene 222.74
    ε-caprolactone 1129.89
    p-cymene 173.36
    epichlorohydrin 1701.54
    1,1,1-trichloroethane 1418.4
    2-aminoethanol 416.49
    morpholine-4-carbaldehyde 960.87
    sulfolane 1727.9
    2,2,4-trimethylpentane 93.75
    2-methyltetrahydrofuran 2060.46
    n-hexyl acetate 583.96
    isooctane 91.47
    2-(2-butoxyethoxy)ethanol 648.53
    sec-butyl acetate 536.59
    tert-butyl acetate 726.42
    decalin 158.04
    glycerin 298.14
    diglyme 1159.41
    acrylic acid 480.47
    isopropyl myristate 216.24
    n-butyric acid 1162.76
    acetyl acetate 494.57
    di(2-ethylhexyl) phthalate 171.06
    ethyl propionate 672.46
    nitromethane 1153.18
    1,2-diethoxyethane 1313.03
    benzonitrile 539.73
    trioctyl phosphate 129.63
    1-bromopropane 1520.89
    gamma-valerolactone 1529.6
    n-decanol 171.69
    triethyl phosphate 214.07
    4-methyl-2-pentanol 373.31
    propionitrile 941.52
    vinylene carbonate 562.82
    1,1,2-trichlorotrifluoroethane 962.44
    DMS 397.93
    cumene 171.51
    2-octanol 188.87
    2-hexanone 1027.59
    octyl acetate 249.84
    limonene 332.31
    1,2-dimethoxyethane 1261.61
    ethyl orthosilicate 230.77
    tributyl phosphate 179.58
    diacetone alcohol 681.39
    N,N-dimethylaniline 283.57
    acrylonitrile 940.09
    aniline 591.23
    1,3-propanediol 614.88
    bromobenzene 730.46
    dibromomethane 1730.89
    1,1,2,2-tetrachloroethane 1860.07
    2-methyl-cyclohexyl acetate 417.05
    tetrabutyl urea 233.74
    diisobutyl methanol 314.38
    2-phenylethanol 427.85
    styrene 408.26
    dioctyl adipate 299.39
    dimethyl sulfate 327.58
    ethyl butyrate 695.8
    methyl lactate 279.66
    butyl lactate 316.02
    diethyl carbonate 350.27
    propanediol butyl ether 397.3
    triethyl orthoformate 406.1
    p-tert-butyltoluene 171.67
    methyl 4-tert-butylbenzoate 294.66
    morpholine 2115.59
    tert-butylamine 947.18
    n-dodecanol 131.53
    dimethoxymethane 962.64
    ethylene carbonate 495.64
    cyrene 318.32
    2-ethoxyethyl acetate 571.22
    2-ethylhexyl acetate 659.28
    1,2,4-trichlorobenzene 549.06
    4-methylpyridine 1182.27
    dibutyl ether 661.19
    2,6-dimethyl-4-heptanol 314.38
    DEF 1186.76
    dimethyl isosorbide 702.11
    tetrachloroethylene 1214.54
    eugenol 310.03
    triacetin 424.17
    span 80 412.32
    1,4-butanediol 229.45
    1,1-dichloroethane 1790.51
    2-methyl-1-pentanol 622.0
    methyl formate 382.88
    2-methyl-1-butanol 783.64
    n-decane 66.6
    butyronitrile 1128.72
    3,7-dimethyl-1-octanol 315.34
    1-chlorooctane 250.1
    1-chlorotetradecane 89.13
    n-nonane 75.53
    undecane 46.34
    tert-butylcyclohexane 149.44
    cyclooctane 136.41
    cyclopentanol 884.95
    tetrahydropyran 2513.42
    tert-amyl methyl ether 766.13
    2,5,8-trioxanonane 729.47
    1-hexene 1259.93
    2-isopropoxyethanol 568.09
    2,2,2-trifluoroethanol 153.64
    methyl butyrate 903.79

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.07%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Violet odorata leaf 1 8024-08-6 Viola odorata L., fam. Violaceae 12.0%
Violet odorata leaf 2 8024-08-6 Viola odorata L., fam. Violaceae 13.0%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 0.01%
Ribes sanguineum flower headspace Ribes sanguineum L., fam. Grossulariaceae 0.01%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 0.01%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.01%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 5.0%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.3%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 4.4%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.08%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.05%