Piperonyl acetone

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  • Identifiers

    CAS number
    3160-37-0

    Molecular formula
    C11H10O3

    SMILES
    CC(=O)/C=C/C1=CC2=C(C=C1)OCO2

  • Odor profile

    Fragrance
    Sweet 86.44%
    Floral 79.82%
    Spicy 65.12%
    Powdery 64.65%
    Vanilla 61.47%
    Balsamic 59.23%
    Woody 52.63%
    Creamy 44.41%
    Fruity 44.01%
    Cinnamon 43.25%

     

    Flavor
    Sweet 73.29%
    Floral 50.03%
    Woody 42.3%
    Powdery 41.8%
    Vanilla 40.07%
    Spice 36.94%
    Balsam 33.72%
    Spicy 30.8%
    Jam 30.63%
    Cinnamon 30.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.5 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Melting point expt.

    • 111 °C

    Flash point

    • 139.05 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • Insoluble (<1 mg/ml) (NTP, 1992)
    • INSOL IN WATER, PETROLEUM ETHER; SLIGHTLY SOL IN ALCOHOL, HOT WATER; SOL IN ETHER, BENZENE; VERY SOL IN HOT ALCOHOL, CARBON TETRACHLORIDE

  • Synonyms

    • 3160-37-0
    • Piperonylidene acetone
    • Piperonalacetone
    • Piperonylideneacetone
    • 3,4-(METHYLENEDIOXY)BENZYLIDENEACETONE
    • Acetone, piperonylidene-
    • Piperonal acetone
    • 3,4-Methylenedioxybenzyl acetone
    • 3,4-(Methylenedioxy)benzalacetone
    • 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
    • Heliotropyl acetone
    • CCRIS 6270
    • NSC 217304
    • NSC 407384
    • 2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-
    • HSDB 1300
    • (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
    • 4-(Benzo[d][1,3]dioxol-5-yl)but-3-en-2-one
    • 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-
    • EINECS 221-608-4
    • T43BYJ64EG
    • AI3-20860
    • 4-(1,3-Benzodioxol-5-yl)-3-buten-2-one
    • 4-(3,4-(Methylenedioxy)phenyl)-2-butanone
    • 4-(3,4-(Methylenedioxy)phenyl)-3-buten-2-one
    • NSC-217304
    • 5-(3-Oxo-1-butenyl)-1,3-benzodioxole
    • PIPERONYL ACETONE [HSDB]
    • 3,4-Methylenedioxybenzylidene acetone
    • NSC-407384
    • 4-(3,4-methylenedioxyphenyl)-3-buten-2-one
    • (3E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
    • 3-Buten-2-one, 4-[3,4-(methylenedioxy)phenyl]-
    • (E)-4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one
    • 22214-31-9
    • 4-[3,4-(Methylenedioxy)phenyl]-2-butanone
    • UNII-T43BYJ64EG
    • DTXSID7025926
    • WLN: T56 BO DO CHJ G2V1
    • 4-(3,4-Methylenedioxyphenyl)but-3-en-2-one
    • 2-Butanone,4-(methylenedioxy)phenyl]-
    • 3-Buten-2-one,3-benzodioxol-5-yl)-
    • (E)-4-[3,4-(methylenedioxy)phenyl]but-3-en-2-one
    • 3-Buten-2-one,4-(methylenedioxy)phenyl]-
    • MFCD00016907
    • 4-(1,3-dioxaindan-5-yl)but-3-en-2-one
    • (E)-4-(1,3-benzodioxol-5-yl)-3-buten-2-one
    • 4-(1,3-benzodioxol-5-yl)-3-butene-2-one
    • (3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-one
    • CHEMBL104084
    • DTXCID305926
    • PIPERONYL ACETONE [INCI]
    • 3,4(Methylenedioxy)benzalacetone
    • 4(1,3Benzodioxol5yl)3buten2one
    • Tox21_202464
    • 3Buten2one, 4(1,3benzodioxol5yl)
    • NSC217304
    • STK013640
    • AKOS005377221
    • 4(3,4(Methylenedioxy)phenyl)2butanone
    • 4(3,4(Methylenedioxy)phenyl)3buten2one
    • NCGC00249230-01
    • NCGC00260013-01
    • AS-65634
    • BP-10730
    • CAS-3160-37-0
    • 3,4-METHYLENEDIOXYBENZYLIDENEACETONE
    • 3Buten2one, 4(3,4(methylenedioxy)phenyl)
    • CS-0272029
    • 1-(3,4-Methylenedioxyphenyl)but-2-en-3-one
    • EN300-1995951
    • 4-(1,3-BENZODIOXYL-5-YL)-3-BUTEN-2-ONE
    • Q27289640
    • 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-(6CI,7CI,8CI)

  • Applications

    Piperonyl acetone (CAS 3160-37-0) is predominantly used as a synthetic intermediate in fragrance chemistry, providing a building block for the preparation of aroma compounds and other fragrance materials. In cosmetics and personal care, it is encountered as a fragrance intermediate incorporated into perfumed formulations. It also serves as a chemical building block in industrial manufacturing of specialty aroma chemicals and related fine chemicals, and can be used in coatings and inks as a precursor for aromatic ketone–based resin components. In research and development, it is utilized to explore new aromatic structures within the fragrance and related chemical space; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.47
    methanol 86.74
    isopropanol 74.63
    water 1.02
    ethyl acetate 110.07
    n-propanol 61.86
    acetone 153.47
    n-butanol 40.96
    acetonitrile 171.66
    DMF 257.14
    toluene 22.96
    isobutanol 43.58
    1,4-dioxane 272.46
    methyl acetate 170.21
    THF 174.05
    2-butanone 123.17
    n-pentanol 45.91
    sec-butanol 69.15
    n-hexane 1.19
    ethylene glycol 103.67
    NMP 112.95
    cyclohexane 1.39
    DMSO 362.0
    n-butyl acetate 49.77
    n-octanol 27.81
    chloroform 173.29
    n-propyl acetate 74.74
    acetic acid 96.08
    dichloromethane 182.73
    cyclohexanone 80.99
    propylene glycol 120.76
    isopropyl acetate 56.27
    DMAc 346.9
    2-ethoxyethanol 211.97
    isopentanol 42.11
    n-heptane 2.0
    ethyl formate 63.79
    1,2-dichloroethane 101.38
    n-hexanol 37.41
    2-methoxyethanol 263.54
    isobutyl acetate 47.98
    tetrachloromethane 11.84
    n-pentyl acetate 28.33
    transcutol 478.98
    n-heptanol 20.56
    ethylbenzene 22.28
    MIBK 51.13
    2-propoxyethanol 137.04
    tert-butanol 122.79
    MTBE 66.12
    2-butoxyethanol 65.66
    propionic acid 82.02
    o-xylene 22.07
    formic acid 76.63
    diethyl ether 57.26
    m-xylene 20.0
    p-xylene 30.58
    chlorobenzene 37.88
    dimethyl carbonate 79.28
    n-octane 1.79
    formamide 179.7
    cyclopentanone 107.67
    2-pentanone 63.51
    anisole 103.0
    cyclopentyl methyl ether 52.82
    gamma-butyrolactone 137.28
    1-methoxy-2-propanol 201.45
    pyridine 117.24
    3-pentanone 61.63
    furfural 156.31
    n-dodecane 3.05
    diethylene glycol 214.28
    diisopropyl ether 17.46
    tert-amyl alcohol 90.92
    acetylacetone 116.53
    n-hexadecane 3.41
    acetophenone 84.86
    methyl propionate 108.39
    isopentyl acetate 48.91
    trichloroethylene 203.37
    n-nonanol 27.32
    cyclohexanol 40.34
    benzyl alcohol 79.35
    2-ethylhexanol 26.07
    isooctanol 21.0
    dipropyl ether 30.06
    1,2-dichlorobenzene 42.34
    ethyl lactate 63.95
    propylene carbonate 72.67
    n-methylformamide 131.93
    2-pentanol 36.22
    n-pentane 0.7
    1-propoxy-2-propanol 85.45
    1-methoxy-2-propyl acetate 92.17
    2-(2-methoxypropoxy) propanol 115.74
    mesitylene 13.56
    ε-caprolactone 80.94
    p-cymene 15.95
    epichlorohydrin 203.56
    1,1,1-trichloroethane 72.8
    2-aminoethanol 110.12
    morpholine-4-carbaldehyde 239.35
    sulfolane 142.58
    2,2,4-trimethylpentane 1.97
    2-methyltetrahydrofuran 94.16
    n-hexyl acetate 49.89
    isooctane 1.47
    2-(2-butoxyethoxy)ethanol 139.38
    sec-butyl acetate 51.51
    tert-butyl acetate 64.29
    decalin 3.61
    glycerin 200.0
    diglyme 243.58
    acrylic acid 81.82
    isopropyl myristate 28.09
    n-butyric acid 62.11
    acetyl acetate 70.38
    di(2-ethylhexyl) phthalate 32.67
    ethyl propionate 69.83
    nitromethane 288.48
    1,2-diethoxyethane 107.27
    benzonitrile 71.27
    trioctyl phosphate 20.73
    1-bromopropane 34.18
    gamma-valerolactone 180.24
    n-decanol 23.46
    triethyl phosphate 35.85
    4-methyl-2-pentanol 26.76
    propionitrile 86.1
    vinylene carbonate 80.6
    1,1,2-trichlorotrifluoroethane 168.12
    DMS 84.05
    cumene 18.43
    2-octanol 17.4
    2-hexanone 63.09
    octyl acetate 32.59
    limonene 17.74
    1,2-dimethoxyethane 252.85
    ethyl orthosilicate 32.33
    tributyl phosphate 28.25
    diacetone alcohol 99.43
    N,N-dimethylaniline 61.53
    acrylonitrile 127.25
    aniline 63.1
    1,3-propanediol 122.76
    bromobenzene 37.09
    dibromomethane 83.19
    1,1,2,2-tetrachloroethane 150.59
    2-methyl-cyclohexyl acetate 43.66
    tetrabutyl urea 38.68
    diisobutyl methanol 20.61
    2-phenylethanol 56.82
    styrene 28.84
    dioctyl adipate 44.06
    dimethyl sulfate 126.99
    ethyl butyrate 45.69
    methyl lactate 97.03
    butyl lactate 38.62
    diethyl carbonate 43.86
    propanediol butyl ether 81.49
    triethyl orthoformate 40.95
    p-tert-butyltoluene 15.08
    methyl 4-tert-butylbenzoate 59.25
    morpholine 248.31
    tert-butylamine 44.11
    n-dodecanol 20.74
    dimethoxymethane 182.32
    ethylene carbonate 65.52
    cyrene 91.63
    2-ethoxyethyl acetate 68.02
    2-ethylhexyl acetate 37.3
    1,2,4-trichlorobenzene 57.89
    4-methylpyridine 95.54
    dibutyl ether 36.35
    2,6-dimethyl-4-heptanol 20.61
    DEF 89.33
    dimethyl isosorbide 133.57
    tetrachloroethylene 72.25
    eugenol 73.3
    triacetin 82.12
    span 80 61.83
    1,4-butanediol 71.14
    1,1-dichloroethane 92.15
    2-methyl-1-pentanol 43.21
    methyl formate 111.97
    2-methyl-1-butanol 40.06
    n-decane 3.95
    butyronitrile 54.58
    3,7-dimethyl-1-octanol 34.43
    1-chlorooctane 17.1
    1-chlorotetradecane 9.9
    n-nonane 3.27
    undecane 3.43
    tert-butylcyclohexane 3.63
    cyclooctane 0.83
    cyclopentanol 44.71
    tetrahydropyran 91.62
    tert-amyl methyl ether 52.55
    2,5,8-trioxanonane 199.01
    1-hexene 8.7
    2-isopropoxyethanol 137.36
    2,2,2-trifluoroethanol 69.17
    methyl butyrate 76.0

    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