2-Pentylnon-2-enal

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  • Identifiers

    CAS number
    3021-89-4

    Molecular formula
    C14H26O

    SMILES
    CCCCCCC=C(CCCCC)C=O

  • Odor profile

    Fragrance
    Fruity 67.12%
    Fatty 64.42%
    Green 63.61%
    Waxy 58.57%
    Citrus 56.98%
    Aldehydic 45.78%
    Oily 41.75%
    Orange 40.74%
    Floral 40.12%
    Fresh 39.22%

     

    Flavor
    Waxy 51.95%
    Herbal 47.2%
    Citrus 44.62%
    Floral 44.19%
    Fresh 40.16%
    Orange 38.75%
    Green 36.28%
    Fatty 35.66%
    Fruity 33.45%
    Fat 31.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    8.03 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    277°C

    Flash point

    • 119.0 ˚C est.

  • Synonyms

    • 2-Pentyl-2-nonenal
    • 3021-89-4
    • 2-Pentylnon-2-enal
    • DTXSID2062791
    • 2-Pentylnonenal
    • pentyl-2-nonenal
    • SCHEMBL6196500
    • VIKQYIINCNAGJW-UHFFFAOYSA-N
    • NS00028879

  • Applications

    The chemical 2-Pentylnon-2-enal (CAS 3021-89-4) is used primarily as an odorant and fragrance ingredient in perfumery, helping shape the scent profile of fragrances and cosmetic products; it also serves as a synthetic intermediate in fragrance chemistry, enabling the production of complex aroma compounds for the cosmetics industry; in household applications, it may be used as a fragrance component in air fresheners and cleaning products; in industrial manufacturing, it is considered a building block or precursor in fragrance synthesis; and in product development, it may function as a fixative or scent-modulating ingredient in certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6461.07
    methanol 4268.36
    isopropanol 6766.17
    water 0.02
    ethyl acetate 13813.09
    n-propanol 6638.02
    acetone 16889.58
    n-butanol 6640.49
    acetonitrile 7302.48
    DMF 8490.87
    toluene 4918.48
    isobutanol 5314.01
    1,4-dioxane 8632.35
    methyl acetate 6720.66
    THF 13470.48
    2-butanone 13174.02
    n-pentanol 3671.2
    sec-butanol 6328.18
    n-hexane 3240.23
    ethylene glycol 183.18
    NMP 5633.05
    cyclohexane 4956.08
    DMSO 7712.68
    n-butyl acetate 9659.5
    n-octanol 1287.75
    chloroform 11956.13
    n-propyl acetate 7523.69
    acetic acid 2382.07
    dichloromethane 14569.27
    cyclohexanone 16275.98
    propylene glycol 538.13
    isopropyl acetate 8058.33
    DMAc 4575.77
    2-ethoxyethanol 3118.16
    isopentanol 5824.57
    n-heptane 1251.81
    ethyl formate 3905.68
    1,2-dichloroethane 14011.4
    n-hexanol 4225.05
    2-methoxyethanol 5580.53
    isobutyl acetate 3528.87
    tetrachloromethane 2548.38
    n-pentyl acetate 4454.25
    transcutol 12493.57
    n-heptanol 1401.15
    ethylbenzene 2249.26
    MIBK 5783.81
    2-propoxyethanol 4576.73
    tert-butanol 7083.92
    MTBE 12158.97
    2-butoxyethanol 2328.32
    propionic acid 2816.63
    o-xylene 2111.04
    formic acid 271.35
    diethyl ether 17006.15
    m-xylene 2694.8
    p-xylene 2478.62
    chlorobenzene 5200.23
    dimethyl carbonate 1249.61
    n-octane 357.82
    formamide 706.69
    cyclopentanone 11953.62
    2-pentanone 14136.35
    anisole 3156.56
    cyclopentyl methyl ether 10320.84
    gamma-butyrolactone 8808.82
    1-methoxy-2-propanol 5089.85
    pyridine 10278.44
    3-pentanone 8357.95
    furfural 5356.46
    n-dodecane 143.32
    diethylene glycol 1498.85
    diisopropyl ether 4242.03
    tert-amyl alcohol 5627.86
    acetylacetone 7495.48
    n-hexadecane 181.01
    acetophenone 2658.1
    methyl propionate 6940.0
    isopentyl acetate 7341.31
    trichloroethylene 17978.41
    n-nonanol 1137.24
    cyclohexanol 6928.11
    benzyl alcohol 1961.34
    2-ethylhexanol 3177.47
    isooctanol 1312.71
    dipropyl ether 6816.5
    1,2-dichlorobenzene 4057.3
    ethyl lactate 1216.68
    propylene carbonate 4397.11
    n-methylformamide 3119.04
    2-pentanol 5770.1
    n-pentane 2241.59
    1-propoxy-2-propanol 4714.18
    1-methoxy-2-propyl acetate 5234.6
    2-(2-methoxypropoxy) propanol 1607.14
    mesitylene 1621.61
    ε-caprolactone 9714.15
    p-cymene 1127.28
    epichlorohydrin 11433.19
    1,1,1-trichloroethane 11829.99
    2-aminoethanol 911.91
    morpholine-4-carbaldehyde 5094.79
    sulfolane 8021.59
    2,2,4-trimethylpentane 566.93
    2-methyltetrahydrofuran 14807.68
    n-hexyl acetate 4462.88
    isooctane 535.04
    2-(2-butoxyethoxy)ethanol 2587.85
    sec-butyl acetate 4888.47
    tert-butyl acetate 6605.25
    decalin 1007.95
    glycerin 548.94
    diglyme 5725.08
    acrylic acid 1461.43
    isopropyl myristate 1342.22
    n-butyric acid 7424.48
    acetyl acetate 4032.34
    di(2-ethylhexyl) phthalate 742.9
    ethyl propionate 6163.11
    nitromethane 5663.86
    1,2-diethoxyethane 8706.97
    benzonitrile 3720.67
    trioctyl phosphate 626.13
    1-bromopropane 12149.91
    gamma-valerolactone 10960.51
    n-decanol 760.39
    triethyl phosphate 1138.47
    4-methyl-2-pentanol 2328.49
    propionitrile 7064.97
    vinylene carbonate 3294.8
    1,1,2-trichlorotrifluoroethane 4511.86
    DMS 2254.42
    cumene 1151.13
    2-octanol 1188.72
    2-hexanone 7188.8
    octyl acetate 1490.29
    limonene 2354.1
    1,2-dimethoxyethane 7551.63
    ethyl orthosilicate 1261.07
    tributyl phosphate 946.94
    diacetone alcohol 4350.21
    N,N-dimethylaniline 1644.54
    acrylonitrile 5544.62
    aniline 4078.18
    1,3-propanediol 2094.32
    bromobenzene 6099.9
    dibromomethane 11687.62
    1,1,2,2-tetrachloroethane 13836.53
    2-methyl-cyclohexyl acetate 2432.48
    tetrabutyl urea 1186.69
    diisobutyl methanol 1751.5
    2-phenylethanol 2062.7
    styrene 3235.0
    dioctyl adipate 1567.63
    dimethyl sulfate 1612.87
    ethyl butyrate 5587.34
    methyl lactate 1243.29
    butyl lactate 2066.46
    diethyl carbonate 2384.83
    propanediol butyl ether 1548.18
    triethyl orthoformate 2855.33
    p-tert-butyltoluene 1058.49
    methyl 4-tert-butylbenzoate 1617.48
    morpholine 13497.49
    tert-butylamine 5759.66
    n-dodecanol 552.12
    dimethoxymethane 6207.17
    ethylene carbonate 3398.41
    cyrene 1121.57
    2-ethoxyethyl acetate 4441.53
    2-ethylhexyl acetate 5561.94
    1,2,4-trichlorobenzene 4110.02
    4-methylpyridine 10709.53
    dibutyl ether 5377.96
    2,6-dimethyl-4-heptanol 1751.5
    DEF 10847.06
    dimethyl isosorbide 2887.71
    tetrachloroethylene 8260.95
    eugenol 1383.2
    triacetin 2339.18
    span 80 1587.71
    1,4-butanediol 629.57
    1,1-dichloroethane 15176.19
    2-methyl-1-pentanol 3201.97
    methyl formate 1827.0
    2-methyl-1-butanol 5190.34
    n-decane 342.9
    butyronitrile 9278.02
    3,7-dimethyl-1-octanol 1676.93
    1-chlorooctane 1616.12
    1-chlorotetradecane 442.8
    n-nonane 398.42
    undecane 205.84
    tert-butylcyclohexane 839.13
    cyclooctane 1184.98
    cyclopentanol 4862.54
    tetrahydropyran 19477.31
    tert-amyl methyl ether 6865.02
    2,5,8-trioxanonane 2700.5
    1-hexene 7930.38
    2-isopropoxyethanol 2558.0
    2,2,2-trifluoroethanol 511.92
    methyl butyrate 8456.76

    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