4-Oxononanal

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    74327-29-0

    Molecular formula
    C9H16O2

    SMILES
    CCCCCC(=O)CCC=O

    Retention indicies (RI)

    • DB5: 1244.0

  • Odor profile

    Fragrance
    Fatty 50.14%
    Green 49.15%
    Metallic 42.17%
    Mushroom 38.4%
    Cheesy 37.04%
    Earthy 36.1%
    Fruity 30.07%
    Buttery 29.77%
    Aldehydic 29.69%
    Herbal 29.45%

     

    Flavor
    Sweet 37.71%
    Fatty 36.26%
    Cheese 34.02%
    Herbal 32.48%
    Mushroom 31.4%
    Fruity 31.22%
    Oily 28.76%
    Earthy 26.78%
    Nut 25.77%
    Butter 25.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.7 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 99.45 ˚C est.

  • Synonyms

    • 4-Oxononanal
    • 4-Oxononan-1-al
    • 74327-29-0
    • EINECS 277-818-1
    • DTXSID80225335
    • SCHEMBL1866128
    • DTXCID80147826
    • CHEBI:171761
    • NS00037613
    • 277-818-1

  • Applications

    4-Oxononanal (CAS 74327-29-0) is generally regarded as a building block and intermediate in organic synthesis, with practical applications in fragrance chemistry and the fragrance industry, in the flavor industry, and in polymers/plastics and coatings/inks where its aldehyde/ketone functionality enables downstream functional-group transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2573.74
    methanol 4123.88
    isopropanol 1497.13
    water 1.16
    ethyl acetate 1426.06
    n-propanol 1373.26
    acetone 2457.65
    n-butanol 1243.22
    acetonitrile 1887.59
    DMF 1926.63
    toluene 343.87
    isobutanol 855.79
    1,4-dioxane 1464.33
    methyl acetate 1110.68
    THF 1952.15
    2-butanone 1305.26
    n-pentanol 762.97
    sec-butanol 878.31
    n-hexane 103.71
    ethylene glycol 297.98
    NMP 1190.05
    cyclohexane 130.41
    DMSO 2395.78
    n-butyl acetate 1148.33
    n-octanol 232.95
    chloroform 2246.66
    n-propyl acetate 890.14
    acetic acid 1729.53
    dichloromethane 2305.19
    cyclohexanone 1742.34
    propylene glycol 392.19
    isopropyl acetate 788.58
    DMAc 1114.75
    2-ethoxyethanol 955.52
    isopentanol 972.81
    n-heptane 49.84
    ethyl formate 952.54
    1,2-dichloroethane 1360.75
    n-hexanol 728.97
    2-methoxyethanol 1773.02
    isobutyl acetate 504.95
    tetrachloromethane 285.93
    n-pentyl acetate 462.01
    transcutol 3078.15
    n-heptanol 221.15
    ethylbenzene 212.52
    MIBK 571.52
    2-propoxyethanol 1084.31
    tert-butanol 1379.92
    MTBE 874.67
    2-butoxyethanol 496.43
    propionic acid 1043.47
    o-xylene 214.86
    formic acid 538.49
    diethyl ether 1077.98
    m-xylene 230.2
    p-xylene 287.68
    chlorobenzene 607.62
    dimethyl carbonate 215.69
    n-octane 18.95
    formamide 718.85
    cyclopentanone 1688.73
    2-pentanone 1098.8
    anisole 505.41
    cyclopentyl methyl ether 823.12
    gamma-butyrolactone 1752.98
    1-methoxy-2-propanol 1110.52
    pyridine 1559.04
    3-pentanone 586.13
    furfural 1412.08
    n-dodecane 14.92
    diethylene glycol 772.11
    diisopropyl ether 215.65
    tert-amyl alcohol 843.62
    acetylacetone 1079.25
    n-hexadecane 17.42
    acetophenone 495.26
    methyl propionate 749.93
    isopentyl acetate 823.29
    trichloroethylene 2320.81
    n-nonanol 191.71
    cyclohexanol 818.34
    benzyl alcohol 490.92
    2-ethylhexanol 403.2
    isooctanol 189.05
    dipropyl ether 448.25
    1,2-dichlorobenzene 515.13
    ethyl lactate 297.99
    propylene carbonate 914.09
    n-methylformamide 1156.57
    2-pentanol 653.08
    n-pentane 69.47
    1-propoxy-2-propanol 794.88
    1-methoxy-2-propyl acetate 731.66
    2-(2-methoxypropoxy) propanol 461.42
    mesitylene 139.05
    ε-caprolactone 1328.95
    p-cymene 131.97
    epichlorohydrin 1717.38
    1,1,1-trichloroethane 1115.18
    2-aminoethanol 689.32
    morpholine-4-carbaldehyde 1241.03
    sulfolane 1559.13
    2,2,4-trimethylpentane 34.28
    2-methyltetrahydrofuran 1428.17
    n-hexyl acetate 588.2
    isooctane 28.18
    2-(2-butoxyethoxy)ethanol 683.85
    sec-butyl acetate 530.62
    tert-butyl acetate 662.76
    decalin 63.8
    glycerin 473.11
    diglyme 1307.66
    acrylic acid 807.15
    isopropyl myristate 179.61
    n-butyric acid 1705.29
    acetyl acetate 731.31
    di(2-ethylhexyl) phthalate 183.02
    ethyl propionate 605.72
    nitromethane 2259.95
    1,2-diethoxyethane 981.08
    benzonitrile 810.76
    trioctyl phosphate 124.65
    1-bromopropane 856.42
    gamma-valerolactone 1881.35
    n-decanol 129.61
    triethyl phosphate 212.39
    4-methyl-2-pentanol 327.28
    propionitrile 1177.16
    vinylene carbonate 838.0
    1,1,2-trichlorotrifluoroethane 1133.21
    DMS 425.3
    cumene 141.86
    2-octanol 155.98
    2-hexanone 854.55
    octyl acetate 222.02
    limonene 216.15
    1,2-dimethoxyethane 1577.54
    ethyl orthosilicate 210.85
    tributyl phosphate 196.05
    diacetone alcohol 694.69
    N,N-dimethylaniline 292.98
    acrylonitrile 1427.34
    aniline 618.95
    1,3-propanediol 991.45
    bromobenzene 621.42
    dibromomethane 1496.18
    1,1,2,2-tetrachloroethane 1690.12
    2-methyl-cyclohexyl acetate 377.15
    tetrabutyl urea 232.4
    diisobutyl methanol 209.04
    2-phenylethanol 465.67
    styrene 337.44
    dioctyl adipate 288.05
    dimethyl sulfate 335.84
    ethyl butyrate 616.27
    methyl lactate 336.88
    butyl lactate 374.36
    diethyl carbonate 364.88
    propanediol butyl ether 479.51
    triethyl orthoformate 351.86
    p-tert-butyltoluene 121.6
    methyl 4-tert-butylbenzoate 318.11
    morpholine 1964.15
    tert-butylamine 780.04
    n-dodecanol 93.14
    dimethoxymethane 813.01
    ethylene carbonate 763.64
    cyrene 349.02
    2-ethoxyethyl acetate 645.95
    2-ethylhexyl acetate 570.42
    1,2,4-trichlorobenzene 567.1
    4-methylpyridine 1445.3
    dibutyl ether 418.71
    2,6-dimethyl-4-heptanol 209.04
    DEF 1109.22
    dimethyl isosorbide 678.13
    tetrachloroethylene 1206.58
    eugenol 363.59
    triacetin 525.09
    span 80 396.51
    1,4-butanediol 342.01
    1,1-dichloroethane 1475.67
    2-methyl-1-pentanol 590.25
    methyl formate 752.32
    2-methyl-1-butanol 744.19
    n-decane 28.29
    butyronitrile 1367.58
    3,7-dimethyl-1-octanol 273.72
    1-chlorooctane 151.7
    1-chlorotetradecane 49.8
    n-nonane 28.43
    undecane 19.46
    tert-butylcyclohexane 57.51
    cyclooctane 28.92
    cyclopentanol 853.02
    tetrahydropyran 1685.37
    tert-amyl methyl ether 507.42
    2,5,8-trioxanonane 778.25
    1-hexene 507.04
    2-isopropoxyethanol 667.89
    2,2,2-trifluoroethanol 389.57
    methyl butyrate 1023.78

    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
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.1%