5-Nonenal

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  • Identifiers

    CAS number
    90645-87-7

    Molecular formula
    C9H16O

    SMILES
    CCCC=CCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 75.63%
    Fatty 67.59%
    Citrus 63.66%
    Fruity 55.44%
    Melon 54.85%
    Aldehydic 54.58%
    Fresh 54.23%
    Waxy 52.57%
    Cucumber 52.32%
    Orange 38.21%

     

    Flavor
    Fatty 58.36%
    Green 57.46%
    Waxy 49.92%
    Cucumber 48.91%
    Melon 47.74%
    Citrus 45.02%
    Aldehydic 42.13%
    Fresh 40.25%
    Fat 31.26%
    Orange 30.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.49 (neutral)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 78.75 ˚C est.

  • Synonyms

    • 5-NONENAL
    • 90645-87-7
    • DTXSID30337513
    • RefChem:304479
    • DTXCID20288601
    • NON-5-ENAL
    • SCHEMBL2163555
    • SCHEMBL2163559
    • 90645-87-7

  • Applications

    5-Nonenal (CAS 90645-87-7) is used as an odorant or fragrance ingredient in perfumery and flavor applications, contributing fresh, green notes to perfumes and flavor formulations; in cosmetics and personal care it may be employed as a scent component; in household products it is used to impart fragrance to cleaners, laundry products, and air fresheners; in industrial manufacturing it can serve as a chemical intermediate for the synthesis of fragrance-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3369.76
    methanol 3096.24
    isopropanol 2885.87
    water 0.1
    ethyl acetate 2471.75
    n-propanol 2708.6
    acetone 4229.21
    n-butanol 2693.22
    acetonitrile 1944.09
    DMF 2170.93
    toluene 917.34
    isobutanol 1865.96
    1,4-dioxane 2496.81
    methyl acetate 1595.44
    THF 4285.27
    2-butanone 2687.11
    n-pentanol 1744.98
    sec-butanol 2103.56
    n-hexane 1467.41
    ethylene glycol 259.98
    NMP 1605.14
    cyclohexane 1204.98
    DMSO 3628.77
    n-butyl acetate 2414.35
    n-octanol 634.45
    chloroform 3594.18
    n-propyl acetate 1801.65
    acetic acid 1419.67
    dichloromethane 3800.95
    cyclohexanone 3228.75
    propylene glycol 503.26
    isopropyl acetate 1338.22
    DMAc 981.29
    2-ethoxyethanol 1296.93
    isopentanol 2004.14
    n-heptane 610.63
    ethyl formate 979.36
    1,2-dichloroethane 2736.77
    n-hexanol 2107.46
    2-methoxyethanol 2152.74
    isobutyl acetate 925.67
    tetrachloromethane 784.13
    n-pentyl acetate 984.12
    transcutol 4581.25
    n-heptanol 595.13
    ethylbenzene 526.3
    MIBK 1199.12
    2-propoxyethanol 1992.64
    tert-butanol 2846.86
    MTBE 2381.36
    2-butoxyethanol 891.77
    propionic acid 1353.04
    o-xylene 437.24
    formic acid 214.5
    diethyl ether 3524.7
    m-xylene 581.08
    p-xylene 606.71
    chlorobenzene 1114.24
    dimethyl carbonate 290.59
    n-octane 163.18
    formamide 345.1
    cyclopentanone 3006.51
    2-pentanone 2643.96
    anisole 796.7
    cyclopentyl methyl ether 2468.69
    gamma-butyrolactone 2436.98
    1-methoxy-2-propanol 1851.41
    pyridine 2302.97
    3-pentanone 1477.64
    furfural 1485.14
    n-dodecane 78.12
    diethylene glycol 895.18
    diisopropyl ether 863.85
    tert-amyl alcohol 1934.51
    acetylacetone 1571.53
    n-hexadecane 90.82
    acetophenone 672.03
    methyl propionate 1429.42
    isopentyl acetate 1733.49
    trichloroethylene 3757.52
    n-nonanol 519.16
    cyclohexanol 2029.48
    benzyl alcohol 669.26
    2-ethylhexanol 1237.96
    isooctanol 513.2
    dipropyl ether 2006.35
    1,2-dichlorobenzene 853.95
    ethyl lactate 420.55
    propylene carbonate 1189.67
    n-methylformamide 1099.64
    2-pentanol 1906.04
    n-pentane 861.06
    1-propoxy-2-propanol 1819.6
    1-methoxy-2-propyl acetate 1236.1
    2-(2-methoxypropoxy) propanol 685.99
    mesitylene 372.37
    ε-caprolactone 2092.47
    p-cymene 331.43
    epichlorohydrin 2638.99
    1,1,1-trichloroethane 2386.43
    2-aminoethanol 717.22
    morpholine-4-carbaldehyde 1412.88
    sulfolane 2582.14
    2,2,4-trimethylpentane 205.77
    2-methyltetrahydrofuran 3745.05
    n-hexyl acetate 1188.55
    isooctane 194.35
    2-(2-butoxyethoxy)ethanol 1062.7
    sec-butyl acetate 988.74
    tert-butyl acetate 1256.64
    decalin 329.46
    glycerin 477.84
    diglyme 1863.32
    acrylic acid 824.39
    isopropyl myristate 406.36
    n-butyric acid 2486.69
    acetyl acetate 802.86
    di(2-ethylhexyl) phthalate 292.75
    ethyl propionate 1205.98
    nitromethane 1766.51
    1,2-diethoxyethane 2177.0
    benzonitrile 1019.85
    trioctyl phosphate 238.44
    1-bromopropane 2781.07
    gamma-valerolactone 2598.1
    n-decanol 368.63
    triethyl phosphate 356.57
    4-methyl-2-pentanol 796.74
    propionitrile 1914.48
    vinylene carbonate 964.83
    1,1,2-trichlorotrifluoroethane 1501.11
    DMS 593.09
    cumene 319.96
    2-octanol 454.75
    2-hexanone 1984.14
    octyl acetate 469.58
    limonene 676.05
    1,2-dimethoxyethane 2278.0
    ethyl orthosilicate 393.81
    tributyl phosphate 334.38
    diacetone alcohol 1137.85
    N,N-dimethylaniline 466.53
    acrylonitrile 1721.11
    aniline 1032.84
    1,3-propanediol 1141.26
    bromobenzene 1245.99
    dibromomethane 3229.79
    1,1,2,2-tetrachloroethane 2875.34
    2-methyl-cyclohexyl acetate 743.01
    tetrabutyl urea 413.87
    diisobutyl methanol 652.58
    2-phenylethanol 748.35
    styrene 749.24
    dioctyl adipate 525.68
    dimethyl sulfate 429.66
    ethyl butyrate 1378.47
    methyl lactate 432.65
    butyl lactate 609.94
    diethyl carbonate 626.47
    propanediol butyl ether 784.15
    triethyl orthoformate 746.56
    p-tert-butyltoluene 321.22
    methyl 4-tert-butylbenzoate 492.56
    morpholine 3434.52
    tert-butylamine 2186.01
    n-dodecanol 277.58
    dimethoxymethane 1469.71
    ethylene carbonate 868.62
    cyrene 475.21
    2-ethoxyethyl acetate 1003.59
    2-ethylhexyl acetate 1330.85
    1,2,4-trichlorobenzene 869.54
    4-methylpyridine 2138.0
    dibutyl ether 1529.89
    2,6-dimethyl-4-heptanol 652.58
    DEF 1970.95
    dimethyl isosorbide 1029.01
    tetrachloroethylene 2015.75
    eugenol 494.55
    triacetin 732.02
    span 80 720.45
    1,4-butanediol 419.47
    1,1-dichloroethane 3162.32
    2-methyl-1-pentanol 1273.11
    methyl formate 623.79
    2-methyl-1-butanol 1705.84
    n-decane 161.77
    butyronitrile 2445.61
    3,7-dimethyl-1-octanol 681.03
    1-chlorooctane 554.65
    1-chlorotetradecane 173.01
    n-nonane 196.71
    undecane 106.71
    tert-butylcyclohexane 319.78
    cyclooctane 320.55
    cyclopentanol 1962.07
    tetrahydropyran 4448.43
    tert-amyl methyl ether 1426.14
    2,5,8-trioxanonane 1097.42
    1-hexene 2982.67
    2-isopropoxyethanol 999.34
    2,2,2-trifluoroethanol 248.98
    methyl butyrate 1717.58

    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