Dehydropipernonaline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    107584-38-3

    Molecular formula
    C21H25NO3

    SMILES
    C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3

    Safety labels

  • Odor profile

    Fragrance
    Spicy 54.17%
    Fruity 34.22%
    Herbal 31.22%
    Sweet 27.51%
    Jasmin 27.13%
    Floral 26.87%
    Warm 25.05%
    Balsamic 23.87%
    Green 23.61%
    Fresh 23.52%

     

    Flavor
    Herbal 32.45%
    Spicy 23.67%
    Spice 22.68%
    Warm 22.02%
    Balsam 21.31%
    Bitter 20.81%
    Oriental 20.28%
    Lovage 19.97%
    Nitrile 19.53%
    Outdoor 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.92 (neutral)

    Molecular weight
    339.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    596°C

    Melting point expt.

    • 98 - 99 °C

    Flash point

    • 218.85 ˚C est.

  • Synonyms

    • Dehydropipernonaline
    • 107584-38-3
    • (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
    • DTXSID401315333
    • (2E,4E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)NONA-2,4,8-TRIEN-1-ONE
    • N-(9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl)piperidine
    • Piperidine, 1-(9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl)-, (E,E,E)-
    • Piperidine, 1-[9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl]-, (E,E,E)-
    • RefChem:131551
    • DTXCID601745245
    • Dehydropipernoline
    • (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one
    • CHEMBL483708
    • orb1990512
    • SCHEMBL30013806
    • SCHEMBL31231147
    • CHEBI:174566
    • KAYVDASZRFLFRZ-PQECNABGSA-N
    • BDBM50479136
    • HY-N12122
    • AKOS040736372
    • DA-52415
    • CS-0891909
    • G88948
    • 9-(3,4-Methylenedioxy)-2,4,8-nonatrienoic acid piperidide
    • 2,4,8-Nonatrien-1-one, 9-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E,8E)-
    • Piperidine, 1-[(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl]-
    • 107584-38-3

  • Applications

    Dehydropipernonaline (CAS 107584-38-3) is an aromatic compound commonly used as an intermediate in the synthesis of more complex aromatic structures. In real-world applications, it may serve as a fragrance ingredient or aroma precursor in perfumery and cosmetics/personal care; it can function as a building block in industrial manufacturing of aromatic compounds; it may be used as an odorant in cleaning products. These uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.57
    methanol 48.49
    isopropanol 39.25
    water 0.12
    ethyl acetate 71.75
    n-propanol 46.28
    acetone 61.09
    n-butanol 52.5
    acetonitrile 51.06
    DMF 71.49
    toluene 49.79
    isobutanol 36.05
    1,4-dioxane 97.21
    methyl acetate 61.86
    THF 171.65
    2-butanone 80.11
    n-pentanol 43.6
    sec-butanol 47.81
    n-hexane 1.47
    ethylene glycol 11.71
    NMP 62.53
    cyclohexane 4.81
    DMSO 138.79
    n-butyl acetate 39.75
    n-octanol 12.26
    chloroform 439.8
    n-propyl acetate 51.59
    acetic acid 92.82
    dichloromethane 483.29
    cyclohexanone 118.98
    propylene glycol 22.07
    isopropyl acetate 44.68
    DMAc 170.61
    2-ethoxyethanol 97.15
    isopentanol 46.62
    n-heptane 1.32
    ethyl formate 47.74
    1,2-dichloroethane 223.58
    n-hexanol 26.49
    2-methoxyethanol 102.63
    isobutyl acetate 34.35
    tetrachloromethane 24.82
    n-pentyl acetate 31.69
    transcutol 269.41
    n-heptanol 15.68
    ethylbenzene 18.17
    MIBK 42.36
    2-propoxyethanol 74.62
    tert-butanol 31.78
    MTBE 26.65
    2-butoxyethanol 49.66
    propionic acid 48.98
    o-xylene 21.69
    formic acid 43.18
    diethyl ether 42.56
    m-xylene 21.98
    p-xylene 21.96
    chlorobenzene 62.23
    dimethyl carbonate 38.29
    n-octane 1.07
    formamide 71.83
    cyclopentanone 108.32
    2-pentanone 65.33
    anisole 42.02
    cyclopentyl methyl ether 51.17
    gamma-butyrolactone 113.98
    1-methoxy-2-propanol 80.23
    pyridine 126.0
    3-pentanone 56.87
    furfural 123.65
    n-dodecane 1.27
    diethylene glycol 63.94
    diisopropyl ether 10.83
    tert-amyl alcohol 35.04
    acetylacetone 72.99
    n-hexadecane 1.43
    acetophenone 52.51
    methyl propionate 58.22
    isopentyl acetate 40.21
    trichloroethylene 387.1
    n-nonanol 14.49
    cyclohexanol 50.24
    benzyl alcohol 51.0
    2-ethylhexanol 17.84
    isooctanol 15.43
    dipropyl ether 17.71
    1,2-dichlorobenzene 60.17
    ethyl lactate 38.57
    propylene carbonate 74.61
    n-methylformamide 44.18
    2-pentanol 35.59
    n-pentane 1.84
    1-propoxy-2-propanol 48.77
    1-methoxy-2-propyl acetate 58.09
    2-(2-methoxypropoxy) propanol 58.6
    mesitylene 11.47
    ε-caprolactone 96.49
    p-cymene 10.79
    epichlorohydrin 210.0
    1,1,1-trichloroethane 99.82
    2-aminoethanol 27.13
    morpholine-4-carbaldehyde 93.55
    sulfolane 114.24
    2,2,4-trimethylpentane 1.78
    2-methyltetrahydrofuran 85.02
    n-hexyl acetate 34.67
    isooctane 1.07
    2-(2-butoxyethoxy)ethanol 81.46
    sec-butyl acetate 38.6
    tert-butyl acetate 37.76
    decalin 2.68
    glycerin 37.81
    diglyme 145.21
    acrylic acid 47.99
    isopropyl myristate 17.0
    n-butyric acid 82.36
    acetyl acetate 48.83
    di(2-ethylhexyl) phthalate 25.02
    ethyl propionate 44.06
    nitromethane 125.58
    1,2-diethoxyethane 68.03
    benzonitrile 59.29
    trioctyl phosphate 14.97
    1-bromopropane 79.33
    gamma-valerolactone 139.98
    n-decanol 11.62
    triethyl phosphate 25.9
    4-methyl-2-pentanol 20.91
    propionitrile 49.34
    vinylene carbonate 74.58
    1,1,2-trichlorotrifluoroethane 149.46
    DMS 41.79
    cumene 12.23
    2-octanol 10.61
    2-hexanone 47.56
    octyl acetate 21.52
    limonene 13.02
    1,2-dimethoxyethane 105.84
    ethyl orthosilicate 24.93
    tributyl phosphate 21.27
    diacetone alcohol 51.38
    N,N-dimethylaniline 25.5
    acrylonitrile 59.8
    aniline 60.67
    1,3-propanediol 52.61
    bromobenzene 64.33
    dibromomethane 239.15
    1,1,2,2-tetrachloroethane 269.47
    2-methyl-cyclohexyl acetate 34.97
    tetrabutyl urea 27.61
    diisobutyl methanol 11.05
    2-phenylethanol 41.28
    styrene 24.61
    dioctyl adipate 30.99
    dimethyl sulfate 57.02
    ethyl butyrate 37.54
    methyl lactate 41.45
    butyl lactate 34.89
    diethyl carbonate 31.29
    propanediol butyl ether 39.29
    triethyl orthoformate 33.03
    p-tert-butyltoluene 8.7
    methyl 4-tert-butylbenzoate 42.01
    morpholine 119.05
    tert-butylamine 15.89
    n-dodecanol 9.28
    dimethoxymethane 82.42
    ethylene carbonate 65.87
    cyrene 58.17
    2-ethoxyethyl acetate 58.79
    2-ethylhexyl acetate 33.24
    1,2,4-trichlorobenzene 69.91
    4-methylpyridine 90.55
    dibutyl ether 20.61
    2,6-dimethyl-4-heptanol 11.05
    DEF 70.7
    dimethyl isosorbide 83.67
    tetrachloroethylene 158.93
    eugenol 47.61
    triacetin 55.82
    span 80 40.32
    1,4-butanediol 29.63
    1,1-dichloroethane 144.86
    2-methyl-1-pentanol 41.88
    methyl formate 37.83
    2-methyl-1-butanol 45.43
    n-decane 1.93
    butyronitrile 57.24
    3,7-dimethyl-1-octanol 16.21
    1-chlorooctane 9.82
    1-chlorotetradecane 4.81
    n-nonane 1.52
    undecane 1.53
    tert-butylcyclohexane 1.83
    cyclooctane 1.58
    cyclopentanol 43.06
    tetrahydropyran 94.83
    tert-amyl methyl ether 25.77
    2,5,8-trioxanonane 110.46
    1-hexene 9.13
    2-isopropoxyethanol 66.95
    2,2,2-trifluoroethanol 44.37
    methyl butyrate 55.28

    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