(E)-Piperolein A

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  • Identifiers

    CAS number
    30505-92-1

    Molecular formula
    C19H25NO3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 40.01%
    Floral 31.4%
    Herbal 31.28%
    Jasmin 31.24%
    Fresh 29.46%
    Animal 26.78%
    Fruity 25.97%
    Sweet 23.9%
    Warm 22.26%
    Savory 21.99%

     

    Flavor
    Herbal 35.2%
    Bitter 27.02%
    Floral 22.24%
    Warm 22.16%
    Lovage 21.01%
    Jasmin 20.68%
    Outdoor 20.37%
    Woody 19.95%
    Cedarleaf 19.84%
    Celery 19.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.95 (neutral)

    Molecular weight
    315.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    493°C

    Flash point

    • 195.45 ˚C est.

  • Synonyms

    • (E)-Piperolein A
    • (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one
    • RefChem:1050946
    • Piperolein A
    • 30505-92-1
    • Piperoleine A
    • 6-Hepten-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (6E)-
    • (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one
    • orb1984141
    • CHEMBL1086887
    • SCHEMBL29371038
    • SCHEMBL29477286
    • CHEBI:174296
    • MIWPBXQTBYPJEF-XBXARRHUSA-N
    • DTXSID201317595
    • AKOS040763700
    • Piperolein A, >=90% (LC/MS-UV)
    • Q2096457
    • 7-(3',4'-Methylenedioxyphenyl)-6E-heptenoic acid piperidylamide
    • Piperidine, 1-[(6E)-7-(1,3-benzodioxol-5-yl)-1-oxo-6-heptenyl]-
    • Piperidine, 1-[7-(1,3-benzodioxol-5-yl)-1-oxo-6-heptenyl]-, (E)-
    • Piperidine, 1-[7-[3,4-(methylenedioxy)phenyl]-6-heptenoyl]-, (E)-
    • 30505-92-1

  • Applications

    The compound (E)-Piperolein A (CAS 30505-92-1) may be used as an aroma/fragrance ingredient in perfumery and cosmetic formulations, and may also be evaluated as a flavor/aroma compound in food processing. It is commonly considered as an intermediate or building block in organic synthesis for industrial manufacturing. The substance may serve as a specialty processing aid or precursor in coatings, inks, or polymer formulations, and could play a role as a chemical intermediate in various manufacturing workflows; its exact applicability depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.47
    methanol 69.86
    isopropanol 54.76
    water 0.19
    ethyl acetate 75.11
    n-propanol 62.61
    acetone 66.02
    n-butanol 70.72
    acetonitrile 68.99
    DMF 73.45
    toluene 53.16
    isobutanol 50.35
    1,4-dioxane 131.6
    methyl acetate 66.28
    THF 149.01
    2-butanone 80.22
    n-pentanol 58.8
    sec-butanol 58.66
    n-hexane 1.47
    ethylene glycol 17.5
    NMP 59.37
    cyclohexane 5.54
    DMSO 135.41
    n-butyl acetate 48.16
    n-octanol 18.7
    chloroform 459.3
    n-propyl acetate 62.14
    acetic acid 125.94
    dichloromethane 456.44
    cyclohexanone 130.97
    propylene glycol 29.08
    isopropyl acetate 50.35
    DMAc 146.1
    2-ethoxyethanol 122.85
    isopentanol 61.73
    n-heptane 1.38
    ethyl formate 62.85
    1,2-dichloroethane 196.25
    n-hexanol 33.38
    2-methoxyethanol 125.72
    isobutyl acetate 44.44
    tetrachloromethane 27.83
    n-pentyl acetate 40.51
    transcutol 327.73
    n-heptanol 21.9
    ethylbenzene 20.84
    MIBK 48.29
    2-propoxyethanol 88.89
    tert-butanol 41.55
    MTBE 30.0
    2-butoxyethanol 65.09
    propionic acid 60.04
    o-xylene 25.78
    formic acid 57.37
    diethyl ether 43.91
    m-xylene 25.75
    p-xylene 27.27
    chlorobenzene 72.41
    dimethyl carbonate 35.46
    n-octane 1.27
    formamide 86.17
    cyclopentanone 108.85
    2-pentanone 65.98
    anisole 47.66
    cyclopentyl methyl ether 48.53
    gamma-butyrolactone 119.72
    1-methoxy-2-propanol 90.83
    pyridine 147.51
    3-pentanone 54.67
    furfural 143.57
    n-dodecane 1.72
    diethylene glycol 85.99
    diisopropyl ether 11.71
    tert-amyl alcohol 41.85
    acetylacetone 78.72
    n-hexadecane 1.93
    acetophenone 61.45
    methyl propionate 54.81
    isopentyl acetate 49.0
    trichloroethylene 346.23
    n-nonanol 20.9
    cyclohexanol 60.55
    benzyl alcohol 61.58
    2-ethylhexanol 22.31
    isooctanol 21.08
    dipropyl ether 18.18
    1,2-dichlorobenzene 70.29
    ethyl lactate 47.09
    propylene carbonate 85.23
    n-methylformamide 50.32
    2-pentanol 41.24
    n-pentane 1.83
    1-propoxy-2-propanol 55.3
    1-methoxy-2-propyl acetate 64.94
    2-(2-methoxypropoxy) propanol 71.21
    mesitylene 14.51
    ε-caprolactone 111.84
    p-cymene 13.44
    epichlorohydrin 197.94
    1,1,1-trichloroethane 103.5
    2-aminoethanol 38.57
    morpholine-4-carbaldehyde 105.96
    sulfolane 106.85
    2,2,4-trimethylpentane 2.05
    2-methyltetrahydrofuran 83.83
    n-hexyl acetate 47.75
    isooctane 1.26
    2-(2-butoxyethoxy)ethanol 100.82
    sec-butyl acetate 44.83
    tert-butyl acetate 42.82
    decalin 3.14
    glycerin 49.31
    diglyme 176.74
    acrylic acid 58.39
    isopropyl myristate 22.09
    n-butyric acid 107.08
    acetyl acetate 59.14
    di(2-ethylhexyl) phthalate 33.2
    ethyl propionate 47.74
    nitromethane 141.14
    1,2-diethoxyethane 79.3
    benzonitrile 76.55
    trioctyl phosphate 19.96
    1-bromopropane 76.17
    gamma-valerolactone 153.22
    n-decanol 16.35
    triethyl phosphate 29.62
    4-methyl-2-pentanol 25.46
    propionitrile 63.05
    vinylene carbonate 89.54
    1,1,2-trichlorotrifluoroethane 151.79
    DMS 47.71
    cumene 14.61
    2-octanol 14.79
    2-hexanone 55.11
    octyl acetate 28.09
    limonene 15.2
    1,2-dimethoxyethane 126.42
    ethyl orthosilicate 28.95
    tributyl phosphate 27.15
    diacetone alcohol 57.01
    N,N-dimethylaniline 29.7
    acrylonitrile 74.69
    aniline 67.12
    1,3-propanediol 75.69
    bromobenzene 73.9
    dibromomethane 235.43
    1,1,2,2-tetrachloroethane 245.73
    2-methyl-cyclohexyl acetate 42.13
    tetrabutyl urea 34.42
    diisobutyl methanol 13.63
    2-phenylethanol 49.91
    styrene 27.33
    dioctyl adipate 39.02
    dimethyl sulfate 50.45
    ethyl butyrate 43.17
    methyl lactate 44.29
    butyl lactate 44.46
    diethyl carbonate 36.75
    propanediol butyl ether 55.09
    triethyl orthoformate 37.9
    p-tert-butyltoluene 10.78
    methyl 4-tert-butylbenzoate 53.2
    morpholine 140.58
    tert-butylamine 20.99
    n-dodecanol 13.11
    dimethoxymethane 82.76
    ethylene carbonate 81.02
    cyrene 69.07
    2-ethoxyethyl acetate 71.9
    2-ethylhexyl acetate 39.72
    1,2,4-trichlorobenzene 76.37
    4-methylpyridine 101.18
    dibutyl ether 25.35
    2,6-dimethyl-4-heptanol 13.63
    DEF 71.04
    dimethyl isosorbide 95.08
    tetrachloroethylene 161.32
    eugenol 60.62
    triacetin 69.11
    span 80 52.45
    1,4-butanediol 44.42
    1,1-dichloroethane 143.6
    2-methyl-1-pentanol 53.66
    methyl formate 41.85
    2-methyl-1-butanol 58.72
    n-decane 2.51
    butyronitrile 74.02
    3,7-dimethyl-1-octanol 22.26
    1-chlorooctane 12.84
    1-chlorotetradecane 6.35
    n-nonane 1.93
    undecane 2.0
    tert-butylcyclohexane 2.23
    cyclooctane 1.86
    cyclopentanol 49.69
    tetrahydropyran 102.99
    tert-amyl methyl ether 26.52
    2,5,8-trioxanonane 136.02
    1-hexene 9.35
    2-isopropoxyethanol 83.2
    2,2,2-trifluoroethanol 55.95
    methyl butyrate 64.23

    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