Nona-3,5-dien-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    41628-40-4

    Molecular formula
    C9H14O

    SMILES
    CCC/C=C/C=C/C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.12%
    Fatty 79.65%
    Green 75.88%
    Herbal 57.93%
    Earthy 57.13%
    Oily 53.87%
    Spicy 50.95%
    Nutty 48.87%
    Sweet 48.16%
    Dairy 48.09%

     

    Flavor
    Green 62.1%
    Fruity 60.01%
    Fatty 58.45%
    Sweet 45.02%
    Spicy 41.35%
    Fat 40.2%
    Oily 35.28%
    Floral 34.85%
    Citrus 34.67%
    Orange 32.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    207°C

    Flash point

    • 73.66 ˚C est.

  • Synonyms

    • Nona-3,5-dien-2-one
    • (3E,5E)-nona-3,5-dien-2-one
    • 41628-40-4
    • 80387-31-1
    • (3E,5E)-3,5-Nonadien-2-one
    • SCHEMBL11482457
    • (E,E)-3,5-Nonadien-2-one
    • JETNPTUJXPNCAS-BSWSSELBSA-N
    • DTXSID301016029
    • (3E,5E)-3,5-Nonadien-2-one #
    • EN300-1854970
    • 41628-40-4

  • Applications

    Nona-3,5-dien-2-one (CAS 41628-40-4) is a synthetic building block used in fragrance and cosmetics-related applications; it may function as an odor-active ingredient or fragrance intermediate in perfumery and personal care products, and can serve as a building block in the industrial synthesis of fine chemicals and related fragrance compounds, as well as in specialty polymer and coating systems, depending on formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1696.39
    methanol 1670.77
    isopropanol 1164.31
    water 0.41
    ethyl acetate 962.93
    n-propanol 1186.53
    acetone 1738.87
    n-butanol 1148.83
    acetonitrile 865.8
    DMF 1529.04
    toluene 488.78
    isobutanol 853.88
    1,4-dioxane 1379.24
    methyl acetate 811.95
    THF 1937.98
    2-butanone 1105.41
    n-pentanol 805.56
    sec-butanol 1003.3
    n-hexane 582.59
    ethylene glycol 304.17
    NMP 1153.56
    cyclohexane 385.26
    DMSO 1773.31
    n-butyl acetate 893.66
    n-octanol 404.41
    chloroform 1950.4
    n-propyl acetate 577.63
    acetic acid 902.9
    dichloromethane 1454.2
    cyclohexanone 1350.37
    propylene glycol 544.27
    isopropyl acetate 570.27
    DMAc 1019.74
    2-ethoxyethanol 695.61
    isopentanol 920.66
    n-heptane 200.58
    ethyl formate 395.9
    1,2-dichloroethane 1000.36
    n-hexanol 1125.34
    2-methoxyethanol 1151.36
    isobutyl acetate 387.95
    tetrachloromethane 365.67
    n-pentyl acetate 409.54
    transcutol 3137.46
    n-heptanol 327.5
    ethylbenzene 280.77
    MIBK 539.97
    2-propoxyethanol 1187.86
    tert-butanol 1414.17
    MTBE 1174.69
    2-butoxyethanol 478.44
    propionic acid 795.34
    o-xylene 276.34
    formic acid 212.46
    diethyl ether 1296.88
    m-xylene 347.24
    p-xylene 306.65
    chlorobenzene 525.76
    dimethyl carbonate 213.96
    n-octane 63.31
    formamide 261.51
    cyclopentanone 1365.98
    2-pentanone 1017.91
    anisole 488.26
    cyclopentyl methyl ether 1119.02
    gamma-butyrolactone 1162.53
    1-methoxy-2-propanol 981.52
    pyridine 1017.34
    3-pentanone 659.68
    furfural 776.98
    n-dodecane 43.2
    diethylene glycol 711.22
    diisopropyl ether 352.21
    tert-amyl alcohol 1114.06
    acetylacetone 813.56
    n-hexadecane 48.57
    acetophenone 391.26
    methyl propionate 673.01
    isopentyl acetate 755.32
    trichloroethylene 1641.29
    n-nonanol 326.75
    cyclohexanol 1017.93
    benzyl alcohol 398.6
    2-ethylhexanol 606.14
    isooctanol 266.91
    dipropyl ether 682.87
    1,2-dichlorobenzene 427.98
    ethyl lactate 251.1
    propylene carbonate 574.31
    n-methylformamide 561.65
    2-pentanol 851.95
    n-pentane 320.08
    1-propoxy-2-propanol 935.55
    1-methoxy-2-propyl acetate 688.47
    2-(2-methoxypropoxy) propanol 563.29
    mesitylene 221.15
    ε-caprolactone 915.64
    p-cymene 177.14
    epichlorohydrin 1173.63
    1,1,1-trichloroethane 1095.47
    2-aminoethanol 624.35
    morpholine-4-carbaldehyde 994.75
    sulfolane 1420.81
    2,2,4-trimethylpentane 113.16
    2-methyltetrahydrofuran 1607.0
    n-hexyl acetate 683.54
    isooctane 99.61
    2-(2-butoxyethoxy)ethanol 791.68
    sec-butyl acetate 389.24
    tert-butyl acetate 647.16
    decalin 170.24
    glycerin 545.21
    diglyme 1179.12
    acrylic acid 566.0
    isopropyl myristate 242.04
    n-butyric acid 1032.29
    acetyl acetate 436.31
    di(2-ethylhexyl) phthalate 227.28
    ethyl propionate 471.93
    nitromethane 1017.39
    1,2-diethoxyethane 1014.96
    benzonitrile 512.81
    trioctyl phosphate 162.56
    1-bromopropane 931.54
    gamma-valerolactone 1211.23
    n-decanol 237.21
    triethyl phosphate 199.52
    4-methyl-2-pentanol 410.62
    propionitrile 725.27
    vinylene carbonate 481.22
    1,1,2-trichlorotrifluoroethane 964.45
    DMS 440.61
    cumene 189.37
    2-octanol 250.43
    2-hexanone 768.02
    octyl acetate 299.9
    limonene 338.29
    1,2-dimethoxyethane 1123.19
    ethyl orthosilicate 217.06
    tributyl phosphate 227.64
    diacetone alcohol 703.8
    N,N-dimethylaniline 343.21
    acrylonitrile 691.2
    aniline 621.45
    1,3-propanediol 685.6
    bromobenzene 584.91
    dibromomethane 1221.75
    1,1,2,2-tetrachloroethane 1472.26
    2-methyl-cyclohexyl acetate 395.09
    tetrabutyl urea 287.82
    diisobutyl methanol 301.77
    2-phenylethanol 469.86
    styrene 385.18
    dioctyl adipate 342.61
    dimethyl sulfate 353.83
    ethyl butyrate 490.41
    methyl lactate 331.74
    butyl lactate 336.27
    diethyl carbonate 287.18
    propanediol butyl ether 596.66
    triethyl orthoformate 333.07
    p-tert-butyltoluene 180.27
    methyl 4-tert-butylbenzoate 346.93
    morpholine 1725.39
    tert-butylamine 960.53
    n-dodecanol 177.68
    dimethoxymethane 759.68
    ethylene carbonate 421.2
    cyrene 383.11
    2-ethoxyethyl acetate 526.12
    2-ethylhexyl acetate 572.42
    1,2,4-trichlorobenzene 519.33
    4-methylpyridine 1042.09
    dibutyl ether 645.45
    2,6-dimethyl-4-heptanol 301.77
    DEF 957.41
    dimethyl isosorbide 753.91
    tetrachloroethylene 927.6
    eugenol 367.19
    triacetin 534.38
    span 80 554.2
    1,4-butanediol 302.85
    1,1-dichloroethane 1186.82
    2-methyl-1-pentanol 670.85
    methyl formate 355.27
    2-methyl-1-butanol 865.19
    n-decane 78.84
    butyronitrile 858.24
    3,7-dimethyl-1-octanol 419.38
    1-chlorooctane 291.64
    1-chlorotetradecane 107.0
    n-nonane 89.13
    undecane 56.2
    tert-butylcyclohexane 173.1
    cyclooctane 123.92
    cyclopentanol 896.1
    tetrahydropyran 1756.43
    tert-amyl methyl ether 777.31
    2,5,8-trioxanonane 800.34
    1-hexene 1180.35
    2-isopropoxyethanol 549.73
    2,2,2-trifluoroethanol 192.95
    methyl butyrate 636.19

    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