Piperonyl acetate

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  • Identifiers

    CAS number
    326-61-4

    Molecular formula
    C10H10O4

    SMILES
    CC(=O)OCC1=CC2=C(C=C1)OCO2

  • Odor profile

    Fragrance
    Floral 88.71%
    Sweet 86.2%
    Powdery 59.46%
    Vanilla 54.58%
    Cherry 45.14%
    Fruity 44.36%
    Spicy 42.95%
    Anisic 42.6%
    Balsamic 40.68%
    Aromatic 37.9%

     

    Flavor
    Sweet 86.52%
    Bitter 67.2%
    Floral 61.07%
    Vanilla 46.31%
    Powdery 45.8%
    Balsam 42.12%
    Creamy 36.68%
    Flower 36.53%
    Hawthorn 36.14%
    Fruity 35.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.05 (neutral)

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 51 °C

    Boiling point

    • 150.00 to 151.00 °C. @ 10.00 mm Hg

    Flash point

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

    Solubility expt.

    • Insoluble (<1 mg/ml) (NTP, 1992)
    • very slightly
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • PIPERONYL ACETATE
    • 326-61-4
    • Heliotropyl acetate
    • 1,3-benzodioxol-5-ylmethyl acetate
    • Benzo[d][1,3]dioxol-5-ylmethyl acetate
    • Piperonyl alcohol, acetate
    • Heliotropin acetate
    • 3,4-Methylenedioxybenzyl acetate
    • FEMA No. 2912
    • 1,3-Benzodioxole-5-methanol, acetate
    • PIPERONYLACETATE
    • Acetic acid, (3,4-methylenedioxy)benzyl ester
    • CCRIS 6269
    • Piperonal acetate
    • EINECS 206-312-5
    • UNII-090XZ4C7VN
    • NSC 406725
    • BRN 0384173
    • 090XZ4C7VN
    • 1,3-Benzodioxole-5-methanol, 5-acetate
    • DTXSID2025925
    • AI3-05703
    • (3,4-Methylenedioxy)benzyl acetate
    • 1,3-Benzodioxol, 5-(acetoxymethyl)
    • NSC-406725
    • (2H-1,3-benzodioxol-5-yl)methyl acetate
    • DTXCID905925
    • Piperonyl alcohol, acetate (6CI,7CI,8CI)
    • PIPERONYL ACETATE [FHFI]
    • FEMA 2912
    • 4-19-00-00736 (Beilstein Handbook Reference)
    • 2H-1,3-benzodioxol-5-ylmethyl acetate
    • Acetic acid, (3, 4-methylenedioxy)benzyl ester
    • CAS-326-61-4
    • MFCD00014574
    • piperonyl acetic acid
    • Acetic Acid Piperonyl Ester
    • Piperonyl acetate, >=99%
    • SCHEMBL306160
    • CHEMBL1366925
    • CHEBI:173936
    • Piperonyl acetate, >=99%, FG
    • Tox21_201683
    • Tox21_303086
    • 1,3-Benzodioxole-5-methanol acetate
    • NSC406725
    • WLN: T56 BO DO CHJ G1OV1
    • AKOS025295149
    • s11733
    • NCGC00091841-01
    • NCGC00091841-02
    • NCGC00257158-01
    • NCGC00259232-01
    • Acetic acid,4-methylenedioxy)benzyl ester
    • AS-63652
    • DB-321401
    • ACETATE 1,3-BENZODIOXOLE-5-METHANOL
    • CS-0327854
    • NS00013157
    • P1821
    • (2H-1,3-Benzodioxol-5-yl)methyl acetic acid
    • (3,4-METHYLENEDIOXY)BENZYL ESTER ACETIC ACID
    • Q27236436
    • 206-312-5

  • Applications

    Piperonyl acetate (CAS 326-61-4) is a fragrant ester with a sweet, woody-vanilla nuance that finds broad use as a perfume ingredient in fine fragrances, soaps, detergents, personal-care cosmetics, scented candles and air fresheners; it is also employed as an aroma-chemical intermediate and food-flavour additive, to mask undesirable solvent odours, to stabilize fragrance profiles in cosmeceutical products, and as a precursor for various bio-active piperonyl derivatives, thanks to its good solubility in organic media, high boiling point and excellent compatibility with oil phases, enabling formulators to create stable, colour-fast products with long-lasting scent retention.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 65.04
    methanol 91.74
    isopropanol 75.65
    water 6.67
    ethyl acetate 97.56
    n-propanol 47.19
    acetone 186.66
    n-butanol 35.93
    acetonitrile 183.56
    DMF 434.22
    toluene 12.56
    isobutanol 36.81
    1,4-dioxane 230.95
    methyl acetate 148.7
    THF 163.68
    2-butanone 109.36
    n-pentanol 37.4
    sec-butanol 65.98
    n-hexane 0.99
    ethylene glycol 85.86
    NMP 165.63
    cyclohexane 0.97
    DMSO 529.4
    n-butyl acetate 38.17
    n-octanol 22.51
    chloroform 131.95
    n-propyl acetate 65.17
    acetic acid 144.37
    dichloromethane 162.45
    cyclohexanone 82.39
    propylene glycol 85.65
    isopropyl acetate 52.58
    DMAc 489.08
    2-ethoxyethanol 237.1
    isopentanol 42.69
    n-heptane 1.36
    ethyl formate 75.43
    1,2-dichloroethane 87.91
    n-hexanol 24.89
    2-methoxyethanol 299.63
    isobutyl acetate 39.73
    tetrachloromethane 10.68
    n-pentyl acetate 21.88
    transcutol 360.71
    n-heptanol 16.21
    ethylbenzene 13.55
    MIBK 50.25
    2-propoxyethanol 118.29
    tert-butanol 138.29
    MTBE 67.24
    2-butoxyethanol 56.64
    propionic acid 80.97
    o-xylene 14.64
    formic acid 156.96
    diethyl ether 49.31
    m-xylene 12.17
    p-xylene 21.79
    chlorobenzene 27.28
    dimethyl carbonate 90.66
    n-octane 1.23
    formamide 342.25
    cyclopentanone 112.34
    2-pentanone 60.27
    anisole 84.21
    cyclopentyl methyl ether 46.69
    gamma-butyrolactone 170.43
    1-methoxy-2-propanol 213.34
    pyridine 94.16
    3-pentanone 52.72
    furfural 199.3
    n-dodecane 2.04
    diethylene glycol 194.69
    diisopropyl ether 14.45
    tert-amyl alcohol 97.8
    acetylacetone 126.2
    n-hexadecane 2.28
    acetophenone 81.87
    methyl propionate 95.94
    isopentyl acetate 39.77
    trichloroethylene 184.77
    n-nonanol 22.62
    cyclohexanol 34.02
    benzyl alcohol 69.32
    2-ethylhexanol 19.11
    isooctanol 16.89
    dipropyl ether 22.95
    1,2-dichlorobenzene 35.25
    ethyl lactate 62.17
    propylene carbonate 82.34
    n-methylformamide 200.54
    2-pentanol 33.68
    n-pentane 0.58
    1-propoxy-2-propanol 68.73
    1-methoxy-2-propyl acetate 75.48
    2-(2-methoxypropoxy) propanol 105.57
    mesitylene 8.89
    ε-caprolactone 80.48
    p-cymene 11.05
    epichlorohydrin 206.01
    1,1,1-trichloroethane 59.47
    2-aminoethanol 94.81
    morpholine-4-carbaldehyde 305.91
    sulfolane 177.73
    2,2,4-trimethylpentane 1.39
    2-methyltetrahydrofuran 86.77
    n-hexyl acetate 38.14
    isooctane 1.0
    2-(2-butoxyethoxy)ethanol 113.76
    sec-butyl acetate 44.27
    tert-butyl acetate 62.0
    decalin 2.17
    glycerin 190.16
    diglyme 226.0
    acrylic acid 89.21
    isopropyl myristate 22.43
    n-butyric acid 63.84
    acetyl acetate 73.83
    di(2-ethylhexyl) phthalate 26.6
    ethyl propionate 61.89
    nitromethane 513.51
    1,2-diethoxyethane 81.33
    benzonitrile 63.9
    trioctyl phosphate 17.34
    1-bromopropane 25.95
    gamma-valerolactone 223.59
    n-decanol 19.02
    triethyl phosphate 32.91
    4-methyl-2-pentanol 24.53
    propionitrile 77.3
    vinylene carbonate 93.32
    1,1,2-trichlorotrifluoroethane 195.35
    DMS 69.16
    cumene 12.09
    2-octanol 14.51
    2-hexanone 57.13
    octyl acetate 26.4
    limonene 12.67
    1,2-dimethoxyethane 301.7
    ethyl orthosilicate 28.53
    tributyl phosphate 24.65
    diacetone alcohol 103.12
    N,N-dimethylaniline 56.13
    acrylonitrile 120.78
    aniline 45.17
    1,3-propanediol 115.42
    bromobenzene 25.24
    dibromomethane 64.94
    1,1,2,2-tetrachloroethane 137.51
    2-methyl-cyclohexyl acetate 37.08
    tetrabutyl urea 35.03
    diisobutyl methanol 16.59
    2-phenylethanol 44.69
    styrene 18.0
    dioctyl adipate 36.65
    dimethyl sulfate 164.13
    ethyl butyrate 40.91
    methyl lactate 92.58
    butyl lactate 31.2
    diethyl carbonate 40.19
    propanediol butyl ether 65.79
    triethyl orthoformate 35.69
    p-tert-butyltoluene 10.69
    methyl 4-tert-butylbenzoate 55.77
    morpholine 224.95
    tert-butylamine 44.72
    n-dodecanol 16.3
    dimethoxymethane 216.25
    ethylene carbonate 73.21
    cyrene 93.3
    2-ethoxyethyl acetate 51.83
    2-ethylhexyl acetate 29.46
    1,2,4-trichlorobenzene 49.27
    4-methylpyridine 88.58
    dibutyl ether 27.32
    2,6-dimethyl-4-heptanol 16.59
    DEF 102.9
    dimethyl isosorbide 128.16
    tetrachloroethylene 67.3
    eugenol 67.16
    triacetin 71.56
    span 80 53.24
    1,4-butanediol 67.05
    1,1-dichloroethane 75.41
    2-methyl-1-pentanol 37.61
    methyl formate 171.79
    2-methyl-1-butanol 36.61
    n-decane 2.77
    butyronitrile 53.2
    3,7-dimethyl-1-octanol 27.67
    1-chlorooctane 11.89
    1-chlorotetradecane 6.87
    n-nonane 2.23
    undecane 2.31
    tert-butylcyclohexane 2.14
    cyclooctane 0.61
    cyclopentanol 40.21
    tetrahydropyran 69.85
    tert-amyl methyl ether 53.02
    2,5,8-trioxanonane 182.39
    1-hexene 6.14
    2-isopropoxyethanol 136.25
    2,2,2-trifluoroethanol 114.08
    methyl butyrate 77.36

    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