(2E,6Z)-nona-2,6-dienoic acid

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  • Identifiers

    CAS number
    23605-13-2

    Molecular formula
    C9H14O2

    SMILES
    CC/C=C\CC/C=C/C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 89.06%
    Green 87.98%
    Fruity 65.39%
    Waxy 64.69%
    Dairy 55.05%
    Melon 54.92%
    Oily 52.39%
    Vegetable 40.92%
    Pear 37.51%
    Milky 34.09%

     

    Flavor
    Fatty 58.31%
    Green 41.75%
    Oily 37.49%
    Sweet 35.96%
    Waxy 32.7%
    Fruity 32.32%
    Fat 29.58%
    Melon 26.61%
    Fresh 22.15%
    Pumpkin 21.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.04 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    266°C

    Flash point

    • 135.07 ˚C est.

  • Synonyms

    • (2E,6Z)-nona-2,6-dienoic acid
    • 2E,6Z-nonadienoic acid
    • 2,6-Nonadienoic acid, (2E,6Z)-
    • 23605-13-2
    • SCHEMBL12048807
    • CHEBI:180445
    • LMFA01030448
    • AKOS006294475
    • 23605-13-2

  • Applications

    Chemical name: (2E,6Z)-nona-2,6-dienoic acid (CAS 23605-13-2) is used as a versatile building block in chemical synthesis. In the fragrance and flavor sectors it is a starting material for ester and aldehyde derivatives that contribute to scent notes and perfumery ingredients. In cosmetics and personal care, its esters and related derivatives are used as emollients or formulation components, while also serving as precursors for surfactants. In polymer and coatings industries, it can function as a monomer or co-monomer for specialty resins and UV-curable systems, providing a hydrophobic backbone and reactive sites for crosslinking. It also serves as an intermediate in pharmaceutical and agrochemical syntheses, and may be employed to prepare surfactant or compatibilizer derivatives. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 988.32
    methanol 1085.39
    isopropanol 657.9
    water 0.18
    ethyl acetate 314.54
    n-propanol 631.73
    acetone 812.32
    n-butanol 513.29
    acetonitrile 154.79
    DMF 1535.69
    toluene 73.36
    isobutanol 409.06
    1,4-dioxane 426.44
    methyl acetate 214.11
    THF 1251.77
    2-butanone 449.37
    n-pentanol 415.58
    sec-butanol 437.2
    n-hexane 99.96
    ethylene glycol 158.76
    NMP 865.68
    cyclohexane 27.27
    DMSO 1920.53
    n-butyl acetate 302.42
    n-octanol 137.89
    chloroform 184.79
    n-propyl acetate 242.29
    acetic acid 334.95
    dichloromethane 170.03
    cyclohexanone 503.41
    propylene glycol 279.56
    isopropyl acetate 236.32
    DMAc 696.26
    2-ethoxyethanol 461.63
    isopentanol 416.92
    n-heptane 23.65
    ethyl formate 133.58
    1,2-dichloroethane 231.35
    n-hexanol 441.41
    2-methoxyethanol 757.78
    isobutyl acetate 176.58
    tetrachloromethane 33.11
    n-pentyl acetate 153.02
    transcutol 1249.5
    n-heptanol 148.79
    ethylbenzene 61.11
    MIBK 289.89
    2-propoxyethanol 567.82
    tert-butanol 733.75
    MTBE 451.83
    2-butoxyethanol 262.62
    propionic acid 305.53
    o-xylene 66.11
    formic acid 118.34
    diethyl ether 374.4
    m-xylene 93.73
    p-xylene 69.15
    chlorobenzene 88.18
    dimethyl carbonate 88.64
    n-octane 9.73
    formamide 180.53
    cyclopentanone 789.95
    2-pentanone 499.91
    anisole 154.05
    cyclopentyl methyl ether 557.93
    gamma-butyrolactone 658.81
    1-methoxy-2-propanol 698.09
    pyridine 227.96
    3-pentanone 243.27
    furfural 332.5
    n-dodecane 8.02
    diethylene glycol 385.27
    diisopropyl ether 129.43
    tert-amyl alcohol 503.55
    acetylacetone 375.09
    n-hexadecane 9.05
    acetophenone 144.87
    methyl propionate 293.06
    isopentyl acetate 277.82
    trichloroethylene 316.92
    n-nonanol 115.61
    cyclohexanol 325.48
    benzyl alcohol 148.64
    2-ethylhexanol 199.47
    isooctanol 120.72
    dipropyl ether 192.01
    1,2-dichlorobenzene 85.97
    ethyl lactate 120.28
    propylene carbonate 260.67
    n-methylformamide 431.42
    2-pentanol 380.59
    n-pentane 40.66
    1-propoxy-2-propanol 421.17
    1-methoxy-2-propyl acetate 296.15
    2-(2-methoxypropoxy) propanol 252.69
    mesitylene 67.84
    ε-caprolactone 365.08
    p-cymene 43.15
    epichlorohydrin 579.86
    1,1,1-trichloroethane 150.06
    2-aminoethanol 393.85
    morpholine-4-carbaldehyde 514.69
    sulfolane 1009.57
    2,2,4-trimethylpentane 25.6
    2-methyltetrahydrofuran 774.7
    n-hexyl acetate 225.85
    isooctane 26.91
    2-(2-butoxyethoxy)ethanol 384.36
    sec-butyl acetate 169.74
    tert-butyl acetate 316.9
    decalin 27.26
    glycerin 303.64
    diglyme 531.71
    acrylic acid 202.95
    isopropyl myristate 84.97
    n-butyric acid 416.56
    acetyl acetate 114.22
    di(2-ethylhexyl) phthalate 86.15
    ethyl propionate 193.58
    nitromethane 396.04
    1,2-diethoxyethane 314.48
    benzonitrile 133.58
    trioctyl phosphate 68.8
    1-bromopropane 163.38
    gamma-valerolactone 644.2
    n-decanol 86.79
    triethyl phosphate 72.16
    4-methyl-2-pentanol 208.18
    propionitrile 182.33
    vinylene carbonate 168.81
    1,1,2-trichlorotrifluoroethane 373.81
    DMS 133.49
    cumene 52.33
    2-octanol 101.92
    2-hexanone 348.04
    octyl acetate 109.23
    limonene 76.3
    1,2-dimethoxyethane 583.63
    ethyl orthosilicate 76.88
    tributyl phosphate 82.42
    diacetone alcohol 449.83
    N,N-dimethylaniline 127.77
    acrylonitrile 196.47
    aniline 157.86
    1,3-propanediol 426.22
    bromobenzene 80.15
    dibromomethane 140.5
    1,1,2,2-tetrachloroethane 316.97
    2-methyl-cyclohexyl acetate 144.87
    tetrabutyl urea 117.72
    diisobutyl methanol 107.92
    2-phenylethanol 170.44
    styrene 69.75
    dioctyl adipate 127.79
    dimethyl sulfate 193.1
    ethyl butyrate 161.39
    methyl lactate 183.24
    butyl lactate 151.41
    diethyl carbonate 86.92
    propanediol butyl ether 295.79
    triethyl orthoformate 115.06
    p-tert-butyltoluene 47.88
    methyl 4-tert-butylbenzoate 148.46
    morpholine 729.59
    tert-butylamine 427.48
    n-dodecanol 65.0
    dimethoxymethane 550.21
    ethylene carbonate 145.56
    cyrene 203.8
    2-ethoxyethyl acetate 198.62
    2-ethylhexyl acetate 190.75
    1,2,4-trichlorobenzene 109.57
    4-methylpyridine 271.16
    dibutyl ether 145.07
    2,6-dimethyl-4-heptanol 107.92
    DEF 477.02
    dimethyl isosorbide 385.41
    tetrachloroethylene 182.07
    eugenol 163.93
    triacetin 163.05
    span 80 238.63
    1,4-butanediol 199.25
    1,1-dichloroethane 202.0
    2-methyl-1-pentanol 324.81
    methyl formate 191.8
    2-methyl-1-butanol 362.3
    n-decane 13.39
    butyronitrile 249.02
    3,7-dimethyl-1-octanol 139.04
    1-chlorooctane 65.18
    1-chlorotetradecane 25.21
    n-nonane 13.43
    undecane 10.14
    tert-butylcyclohexane 36.0
    cyclooctane 11.89
    cyclopentanol 458.42
    tetrahydropyran 583.28
    tert-amyl methyl ether 319.83
    2,5,8-trioxanonane 385.14
    1-hexene 290.75
    2-isopropoxyethanol 356.62
    2,2,2-trifluoroethanol 66.78
    methyl butyrate 253.53

    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