Methyl piperonylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    326-56-7

    Molecular formula
    C9H8O4

    SMILES
    COC(=O)C1=CC2=C(C=C1)OCO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 72.59%
    Floral 70.81%
    Vanilla 49.56%
    Powdery 46.73%
    Spicy 40.27%
    Aromatic 37.75%
    Phenolic 37.61%
    Anisic 35.55%
    Herbal 33.57%
    Coumarinic 33.32%

     

    Flavor
    Bitter 70.76%
    Sweet 46.47%
    Balsam 34.53%
    Herbal 34.11%
    Tonka 30.62%
    Powdery 29.06%
    Floral 27.72%
    Vanilla 27.66%
    Faint 26.27%
    Balsamic 25.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.28 (weak acid)

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 134.31 ˚C est.

  • Synonyms

    • 326-56-7
    • Methyl 1,3-benzodioxole-5-carboxylate
    • Methyl piperonylate
    • methyl benzo[d][1,3]dioxole-5-carboxylate
    • Methyl 3,4-methylenedioxybenzoate
    • 1,3-Benzodioxole-5-carboxylic acid, methyl ester
    • methyl 2H-1,3-benzodioxole-5-carboxylate
    • Piperonylic acid, methyl ester
    • VAB2E5C0S5
    • EINECS 206-309-9
    • MFCD00030273
    • NSC 21790
    • NSC-21790
    • UNII-VAB2E5C0S5
    • AI3-30387
    • DTXSID2059809
    • METHYL BENZO(D)DIOXOLE-5-CARBOXYLATE
    • METHYL BENZO(D)(1,3)DIOXOLE-5-CARBOXYLATE
    • SCHEMBL133049
    • CHEMBL2252109
    • DTXCID1038539
    • AAA32656
    • NSC21790
    • STK411796
    • methyl 1,3-dioxaindane-5-carboxylate
    • AKOS000295899
    • s11673
    • Methyl 1,3-benzodioxole-5-carboxylate #
    • SY168023
    • DB-068673
    • CS-0134599
    • NS00029315
    • EN300-28653
    • 7W-0842
    • Q63398896
    • Z18362703
    • 206-309-9

  • Applications

    Methyl piperonylate is primarily used as a fragrance ingredient and odorant/fixed aroma in the perfumery industry. It is also employed in cosmetics and personal care products as an aroma component. In household and cleaning products, it may serve as a fragrance additive and may act as a co-solvent in certain formulations. As an ester, it is often used as an intermediate in the synthesis of other aroma compounds. Additionally, it may be used as a solvent or co-solvent in industrial-scale fragrance formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.35
    methanol 44.38
    isopropanol 27.74
    water 3.11
    ethyl acetate 137.94
    n-propanol 23.69
    acetone 181.65
    n-butanol 23.67
    acetonitrile 169.48
    DMF 435.37
    toluene 37.33
    isobutanol 21.86
    1,4-dioxane 206.19
    methyl acetate 157.82
    THF 231.17
    2-butanone 119.19
    n-pentanol 20.88
    sec-butanol 30.16
    n-hexane 1.86
    ethylene glycol 35.21
    NMP 340.61
    cyclohexane 3.94
    DMSO 370.2
    n-butyl acetate 51.75
    n-octanol 13.07
    chloroform 162.99
    n-propyl acetate 84.64
    acetic acid 181.68
    dichloromethane 204.36
    cyclohexanone 117.39
    propylene glycol 17.64
    isopropyl acetate 104.33
    DMAc 399.2
    2-ethoxyethanol 137.24
    isopentanol 33.82
    n-heptane 2.6
    ethyl formate 79.6
    1,2-dichloroethane 146.2
    n-hexanol 20.02
    2-methoxyethanol 184.3
    isobutyl acetate 46.0
    tetrachloromethane 25.76
    n-pentyl acetate 29.96
    transcutol 360.28
    n-heptanol 13.66
    ethylbenzene 28.43
    MIBK 74.27
    2-propoxyethanol 88.78
    tert-butanol 67.32
    MTBE 76.87
    2-butoxyethanol 54.07
    propionic acid 67.29
    o-xylene 38.75
    formic acid 168.12
    diethyl ether 78.79
    m-xylene 31.24
    p-xylene 37.49
    chlorobenzene 60.53
    dimethyl carbonate 151.05
    n-octane 1.34
    formamide 438.06
    cyclopentanone 194.96
    2-pentanone 98.89
    anisole 141.99
    cyclopentyl methyl ether 102.01
    gamma-butyrolactone 282.28
    1-methoxy-2-propanol 122.28
    pyridine 169.76
    3-pentanone 95.97
    furfural 325.09
    n-dodecane 1.43
    diethylene glycol 113.1
    diisopropyl ether 32.39
    tert-amyl alcohol 62.24
    acetylacetone 227.93
    n-hexadecane 1.69
    acetophenone 148.33
    methyl propionate 124.12
    isopentyl acetate 53.1
    trichloroethylene 331.43
    n-nonanol 14.46
    cyclohexanol 35.59
    benzyl alcohol 79.51
    2-ethylhexanol 18.96
    isooctanol 14.41
    dipropyl ether 33.33
    1,2-dichlorobenzene 79.49
    ethyl lactate 57.03
    propylene carbonate 134.72
    n-methylformamide 204.46
    2-pentanol 25.01
    n-pentane 2.02
    1-propoxy-2-propanol 53.81
    1-methoxy-2-propyl acetate 98.24
    2-(2-methoxypropoxy) propanol 90.74
    mesitylene 23.72
    ε-caprolactone 122.83
    p-cymene 19.21
    epichlorohydrin 333.45
    1,1,1-trichloroethane 111.58
    2-aminoethanol 40.21
    morpholine-4-carbaldehyde 425.0
    sulfolane 297.36
    2,2,4-trimethylpentane 3.01
    2-methyltetrahydrofuran 131.34
    n-hexyl acetate 44.52
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 100.17
    sec-butyl acetate 68.91
    tert-butyl acetate 126.66
    decalin 4.31
    glycerin 71.99
    diglyme 264.32
    acrylic acid 103.86
    isopropyl myristate 23.92
    n-butyric acid 69.16
    acetyl acetate 148.19
    di(2-ethylhexyl) phthalate 26.16
    ethyl propionate 95.89
    nitromethane 612.45
    1,2-diethoxyethane 87.26
    benzonitrile 91.21
    trioctyl phosphate 16.07
    1-bromopropane 37.9
    gamma-valerolactone 293.65
    n-decanol 11.47
    triethyl phosphate 50.3
    4-methyl-2-pentanol 23.68
    propionitrile 81.24
    vinylene carbonate 146.0
    1,1,2-trichlorotrifluoroethane 255.82
    DMS 97.73
    cumene 21.86
    2-octanol 10.18
    2-hexanone 65.26
    octyl acetate 26.55
    limonene 22.77
    1,2-dimethoxyethane 232.76
    ethyl orthosilicate 43.16
    tributyl phosphate 23.95
    diacetone alcohol 134.73
    N,N-dimethylaniline 89.01
    acrylonitrile 151.28
    aniline 77.79
    1,3-propanediol 54.94
    bromobenzene 55.2
    dibromomethane 87.4
    1,1,2,2-tetrachloroethane 195.99
    2-methyl-cyclohexyl acetate 51.27
    tetrabutyl urea 34.34
    diisobutyl methanol 16.91
    2-phenylethanol 55.46
    styrene 39.36
    dioctyl adipate 43.31
    dimethyl sulfate 260.07
    ethyl butyrate 65.93
    methyl lactate 89.54
    butyl lactate 29.57
    diethyl carbonate 60.43
    propanediol butyl ether 41.75
    triethyl orthoformate 52.69
    p-tert-butyltoluene 18.24
    methyl 4-tert-butylbenzoate 78.6
    morpholine 198.29
    tert-butylamine 34.41
    n-dodecanol 9.43
    dimethoxymethane 269.61
    ethylene carbonate 107.01
    cyrene 114.58
    2-ethoxyethyl acetate 72.6
    2-ethylhexyl acetate 41.47
    1,2,4-trichlorobenzene 97.83
    4-methylpyridine 136.03
    dibutyl ether 25.71
    2,6-dimethyl-4-heptanol 16.91
    DEF 179.57
    dimethyl isosorbide 163.79
    tetrachloroethylene 144.92
    eugenol 77.4
    triacetin 97.28
    span 80 46.76
    1,4-butanediol 28.56
    1,1-dichloroethane 96.72
    2-methyl-1-pentanol 29.59
    methyl formate 180.98
    2-methyl-1-butanol 29.27
    n-decane 2.15
    butyronitrile 56.27
    3,7-dimethyl-1-octanol 20.56
    1-chlorooctane 9.74
    1-chlorotetradecane 5.35
    n-nonane 1.8
    undecane 1.7
    tert-butylcyclohexane 3.66
    cyclooctane 2.19
    cyclopentanol 41.9
    tetrahydropyran 86.06
    tert-amyl methyl ether 71.07
    2,5,8-trioxanonane 186.74
    1-hexene 8.61
    2-isopropoxyethanol 93.24
    2,2,2-trifluoroethanol 159.21
    methyl butyrate 102.95

    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