Piperettine

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  • Identifiers

    CAS number
    583-34-6

    Molecular formula
    C19H21NO3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 60.41%
    Fruity 30.63%
    Warm 26.88%
    Herbal 26.24%
    Sweet 26.08%
    Cinnamon 23.61%
    Balsamic 23.3%
    Meaty 20.89%
    Jasmin 20.13%
    Savory 19.91%

     

    Flavor
    Bitter 32.12%
    Nitrile 20.33%
    Oriental 20.32%
    Lovage 19.83%
    Animal 19.7%
    Basil 19.27%
    Pepper 18.53%
    Cedarleaf 18.39%
    Outdoor 18.34%
    Diterpene 18.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.61 (neutral)

    Molecular weight
    311.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    560°C

    Melting point expt.

    • 148 °C

    Flash point

    • 214.44 ˚C est.

  • Synonyms

    • piperettine
    • 583-34-6
    • 5LSU6EU5C7
    • DTXSID801318315
    • (2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one
    • (2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
    • RefChem:1096113
    • DTXCID501748127
    • (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-one
    • Piperettin
    • 2,4,6-Heptatrien-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E,6E)-
    • (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one
    • Piperidine, 1-[(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]-
    • Piperidine, 1-[7-(1,3-benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]-, (E,E,E)-
    • piperettine I
    • 1-piperettylpyrrolidine
    • CHEMBL324315
    • orb2943095
    • SCHEMBL14200750
    • CHEBI:193552
    • DLKOUKNODPCIHZ-UMYWTXKFSA-N
    • HY-N15265
    • 1-[7-(3,4-Methylenedioxyphenyl)heptatrienoyl]piperidine
    • 1-[7-(1,3-Benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]piperidine, 9CI
    • Piperidine, 1-[7-[3,4-(methylenedioxy)phenyl]-2,4,6-heptatrienoyl]-
    • (2E,4E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4,6-heptatrien-1-one
    • 583-34-6

  • Applications

    Piperettine (CAS 583-34-6) is primarily considered an odorant/fragrance ingredient for perfumery and cosmetics, and may be used as an intermediate in pharmaceutical and fine-chemical synthesis. In industrial and household products, Piperettine may be used as a fragrance ingredient in cleaners and coatings/inks and can function as a co-solvent or processing aid in certain polymer/plastic formulations, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.65
    methanol 34.95
    isopropanol 32.13
    water 0.15
    ethyl acetate 49.83
    n-propanol 33.73
    acetone 39.74
    n-butanol 37.3
    acetonitrile 48.84
    DMF 59.34
    toluene 34.58
    isobutanol 25.88
    1,4-dioxane 76.86
    methyl acetate 49.97
    THF 121.33
    2-butanone 58.48
    n-pentanol 33.63
    sec-butanol 35.05
    n-hexane 1.05
    ethylene glycol 12.81
    NMP 38.0
    cyclohexane 3.03
    DMSO 113.56
    n-butyl acetate 29.96
    n-octanol 9.99
    chloroform 318.14
    n-propyl acetate 39.98
    acetic acid 71.69
    dichloromethane 330.7
    cyclohexanone 78.89
    propylene glycol 22.23
    isopropyl acetate 31.38
    DMAc 130.3
    2-ethoxyethanol 81.18
    isopentanol 33.5
    n-heptane 1.14
    ethyl formate 39.15
    1,2-dichloroethane 147.63
    n-hexanol 20.68
    2-methoxyethanol 83.37
    isobutyl acetate 26.94
    tetrachloromethane 14.9
    n-pentyl acetate 21.43
    transcutol 198.1
    n-heptanol 12.22
    ethylbenzene 14.59
    MIBK 30.28
    2-propoxyethanol 61.26
    tert-butanol 23.69
    MTBE 16.82
    2-butoxyethanol 38.79
    propionic acid 39.47
    o-xylene 16.17
    formic acid 37.01
    diethyl ether 29.07
    m-xylene 15.8
    p-xylene 17.91
    chlorobenzene 44.0
    dimethyl carbonate 29.99
    n-octane 0.93
    formamide 67.76
    cyclopentanone 76.47
    2-pentanone 43.47
    anisole 33.1
    cyclopentyl methyl ether 34.76
    gamma-butyrolactone 85.12
    1-methoxy-2-propanol 67.16
    pyridine 106.82
    3-pentanone 39.42
    furfural 94.63
    n-dodecane 1.13
    diethylene glycol 58.65
    diisopropyl ether 7.76
    tert-amyl alcohol 26.81
    acetylacetone 50.91
    n-hexadecane 1.28
    acetophenone 41.95
    methyl propionate 42.82
    isopentyl acetate 29.83
    trichloroethylene 262.03
    n-nonanol 11.83
    cyclohexanol 35.94
    benzyl alcohol 41.43
    2-ethylhexanol 14.25
    isooctanol 12.31
    dipropyl ether 14.41
    1,2-dichlorobenzene 42.74
    ethyl lactate 32.77
    propylene carbonate 54.63
    n-methylformamide 37.27
    2-pentanol 26.59
    n-pentane 1.12
    1-propoxy-2-propanol 40.45
    1-methoxy-2-propyl acetate 43.78
    2-(2-methoxypropoxy) propanol 48.01
    mesitylene 8.67
    ε-caprolactone 64.6
    p-cymene 9.39
    epichlorohydrin 148.3
    1,1,1-trichloroethane 65.6
    2-aminoethanol 26.33
    morpholine-4-carbaldehyde 69.77
    sulfolane 82.34
    2,2,4-trimethylpentane 1.22
    2-methyltetrahydrofuran 55.49
    n-hexyl acetate 25.15
    isooctane 0.75
    2-(2-butoxyethoxy)ethanol 62.99
    sec-butyl acetate 28.94
    tert-butyl acetate 26.59
    decalin 2.02
    glycerin 35.88
    diglyme 112.66
    acrylic acid 40.71
    isopropyl myristate 13.74
    n-butyric acid 60.4
    acetyl acetate 36.06
    di(2-ethylhexyl) phthalate 20.18
    ethyl propionate 35.64
    nitromethane 100.62
    1,2-diethoxyethane 51.32
    benzonitrile 50.81
    trioctyl phosphate 12.33
    1-bromopropane 52.56
    gamma-valerolactone 95.66
    n-decanol 9.75
    triethyl phosphate 21.38
    4-methyl-2-pentanol 15.49
    propionitrile 46.46
    vinylene carbonate 58.37
    1,1,2-trichlorotrifluoroethane 109.16
    DMS 32.46
    cumene 10.02
    2-octanol 8.17
    2-hexanone 35.71
    octyl acetate 16.97
    limonene 10.3
    1,2-dimethoxyethane 86.19
    ethyl orthosilicate 20.01
    tributyl phosphate 17.37
    diacetone alcohol 38.1
    N,N-dimethylaniline 21.32
    acrylonitrile 56.94
    aniline 45.78
    1,3-propanediol 44.7
    bromobenzene 43.49
    dibromomethane 162.93
    1,1,2,2-tetrachloroethane 176.71
    2-methyl-cyclohexyl acetate 27.94
    tetrabutyl urea 22.52
    diisobutyl methanol 9.29
    2-phenylethanol 33.19
    styrene 18.93
    dioctyl adipate 24.68
    dimethyl sulfate 41.92
    ethyl butyrate 31.2
    methyl lactate 34.04
    butyl lactate 26.63
    diethyl carbonate 26.65
    propanediol butyl ether 30.91
    triethyl orthoformate 26.34
    p-tert-butyltoluene 7.38
    methyl 4-tert-butylbenzoate 33.74
    morpholine 91.87
    tert-butylamine 11.65
    n-dodecanol 8.02
    dimethoxymethane 62.74
    ethylene carbonate 49.7
    cyrene 47.06
    2-ethoxyethyl acetate 39.97
    2-ethylhexyl acetate 24.7
    1,2,4-trichlorobenzene 49.2
    4-methylpyridine 66.03
    dibutyl ether 16.58
    2,6-dimethyl-4-heptanol 9.29
    DEF 49.19
    dimethyl isosorbide 67.75
    tetrachloroethylene 103.3
    eugenol 39.06
    triacetin 42.53
    span 80 31.82
    1,4-butanediol 26.89
    1,1-dichloroethane 96.71
    2-methyl-1-pentanol 31.22
    methyl formate 32.66
    2-methyl-1-butanol 32.31
    n-decane 1.64
    butyronitrile 47.7
    3,7-dimethyl-1-octanol 13.35
    1-chlorooctane 7.63
    1-chlorotetradecane 4.16
    n-nonane 1.29
    undecane 1.33
    tert-butylcyclohexane 1.38
    cyclooctane 1.1
    cyclopentanol 31.19
    tetrahydropyran 63.51
    tert-amyl methyl ether 17.2
    2,5,8-trioxanonane 87.56
    1-hexene 6.61
    2-isopropoxyethanol 53.71
    2,2,2-trifluoroethanol 37.34
    methyl butyrate 42.86

    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