Isobutyl piperonylate

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  • Identifiers

    CAS number
    74098-26-3

    Molecular formula
    C12H14O4

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

  • Odor profile

    Fragrance
    Sweet 78.9%
    Floral 68.46%
    Balsamic 52.37%
    Powdery 43.25%
    Green 42.94%
    Herbal 41.34%
    Vanilla 41.26%
    Fruity 38.24%
    Spicy 36.12%
    Aromatic 29.96%

     

    Flavor
    Bitter 61.92%
    Herbal 27.47%
    Balsam 26.24%
    Sweet 26.21%
    Powdery 23.36%
    Faint 22.41%
    Parsley 21.85%
    Woody 21.69%
    Aniseed 21.58%
    Tarragon 21.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.62 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 141.62 ˚C est.

  • Synonyms

    • Isobutyl piperonylate
    • 74098-26-3
    • EINECS 277-714-6
    • 2-METHYLPROPYL 2H-1,3-BENZODIOXOLE-5-CARBOXYLATE
    • DTXSID50995538
    • NQAZSYLIZHQVQH-UHFFFAOYSA-N
    • NS00059443

  • Applications

    Isobutyl piperonylate (CAS 74098-26-3) is primarily used in fragrance applications as a fragrance ingredient and fixative, helping to extend scent longevity in perfumery and various consumer products. It is commonly evaluated for use in cosmetics and personal care, contributing a lasting aroma to products such as creams, lotions, and deodorants. In household products, it serves as a fragrance component in air fresheners and cleaning formulations, aiding to impart a recognizable fragrance profile. It is also employed as a fragrance additive in coatings and inks (e.g., scented paints and coatings) to provide olfactory cues on consumer-facing surfaces. Additionally, it may function as an intermediate in fragrance chemistry, supporting synthesis or formulation work for other aroma compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.02
    methanol 629.59
    isopropanol 225.94
    water 1.34
    ethyl acetate 515.5
    n-propanol 230.35
    acetone 528.91
    n-butanol 233.72
    acetonitrile 673.26
    DMF 713.2
    toluene 109.69
    isobutanol 173.0
    1,4-dioxane 428.09
    methyl acetate 490.54
    THF 489.0
    2-butanone 361.83
    n-pentanol 169.29
    sec-butanol 187.53
    n-hexane 2.47
    ethylene glycol 129.17
    NMP 282.39
    cyclohexane 6.27
    DMSO 456.78
    n-butyl acetate 248.16
    n-octanol 79.83
    chloroform 690.92
    n-propyl acetate 264.83
    acetic acid 788.6
    dichloromethane 700.58
    cyclohexanone 271.96
    propylene glycol 123.97
    isopropyl acetate 283.08
    DMAc 567.43
    2-ethoxyethanol 515.56
    isopentanol 243.79
    n-heptane 3.19
    ethyl formate 336.49
    1,2-dichloroethane 381.48
    n-hexanol 138.73
    2-methoxyethanol 880.53
    isobutyl acetate 173.17
    tetrachloromethane 39.42
    n-pentyl acetate 120.09
    transcutol 1165.33
    n-heptanol 74.13
    ethylbenzene 63.4
    MIBK 202.72
    2-propoxyethanol 382.04
    tert-butanol 312.12
    MTBE 225.5
    2-butoxyethanol 211.48
    propionic acid 272.42
    o-xylene 68.77
    formic acid 451.67
    diethyl ether 220.04
    m-xylene 74.6
    p-xylene 91.61
    chlorobenzene 177.84
    dimethyl carbonate 216.06
    n-octane 2.75
    formamide 817.35
    cyclopentanone 338.12
    2-pentanone 323.06
    anisole 217.66
    cyclopentyl methyl ether 171.19
    gamma-butyrolactone 420.41
    1-methoxy-2-propanol 515.83
    pyridine 423.05
    3-pentanone 182.13
    furfural 525.99
    n-dodecane 4.49
    diethylene glycol 416.45
    diisopropyl ether 52.77
    tert-amyl alcohol 256.39
    acetylacetone 486.54
    n-hexadecane 5.05
    acetophenone 236.26
    methyl propionate 326.8
    isopentyl acetate 231.48
    trichloroethylene 850.69
    n-nonanol 72.61
    cyclohexanol 142.3
    benzyl alcohol 231.6
    2-ethylhexanol 82.26
    isooctanol 65.85
    dipropyl ether 62.12
    1,2-dichlorobenzene 171.83
    ethyl lactate 155.08
    propylene carbonate 317.59
    n-methylformamide 449.97
    2-pentanol 157.25
    n-pentane 2.82
    1-propoxy-2-propanol 211.76
    1-methoxy-2-propyl acetate 269.64
    2-(2-methoxypropoxy) propanol 233.35
    mesitylene 39.97
    ε-caprolactone 314.43
    p-cymene 39.76
    epichlorohydrin 618.72
    1,1,1-trichloroethane 278.24
    2-aminoethanol 235.17
    morpholine-4-carbaldehyde 518.84
    sulfolane 293.86
    2,2,4-trimethylpentane 4.76
    2-methyltetrahydrofuran 314.06
    n-hexyl acetate 178.3
    isooctane 3.63
    2-(2-butoxyethoxy)ethanol 330.47
    sec-butyl acetate 182.99
    tert-butyl acetate 262.3
    decalin 6.82
    glycerin 231.37
    diglyme 572.44
    acrylic acid 283.68
    isopropyl myristate 69.11
    n-butyric acid 422.58
    acetyl acetate 344.67
    di(2-ethylhexyl) phthalate 81.03
    ethyl propionate 206.21
    nitromethane 1169.53
    1,2-diethoxyethane 266.5
    benzonitrile 294.51
    trioctyl phosphate 54.69
    1-bromopropane 138.89
    gamma-valerolactone 508.07
    n-decanol 54.45
    triethyl phosphate 82.27
    4-methyl-2-pentanol 104.28
    propionitrile 316.9
    vinylene carbonate 314.62
    1,1,2-trichlorotrifluoroethane 447.03
    DMS 213.2
    cumene 46.04
    2-octanol 52.14
    2-hexanone 199.02
    octyl acetate 90.56
    limonene 47.02
    1,2-dimethoxyethane 565.73
    ethyl orthosilicate 75.53
    tributyl phosphate 73.88
    diacetone alcohol 327.7
    N,N-dimethylaniline 121.86
    acrylonitrile 486.48
    aniline 209.0
    1,3-propanediol 418.32
    bromobenzene 173.96
    dibromomethane 344.29
    1,1,2,2-tetrachloroethane 529.43
    2-methyl-cyclohexyl acetate 123.8
    tetrabutyl urea 88.11
    diisobutyl methanol 50.32
    2-phenylethanol 185.93
    styrene 89.98
    dioctyl adipate 114.01
    dimethyl sulfate 223.78
    ethyl butyrate 160.49
    methyl lactate 205.96
    butyl lactate 114.42
    diethyl carbonate 131.93
    propanediol butyl ether 200.97
    triethyl orthoformate 106.63
    p-tert-butyltoluene 38.06
    methyl 4-tert-butylbenzoate 144.96
    morpholine 509.2
    tert-butylamine 124.22
    n-dodecanol 42.15
    dimethoxymethane 479.57
    ethylene carbonate 247.95
    cyrene 187.01
    2-ethoxyethyl acetate 242.55
    2-ethylhexyl acetate 160.37
    1,2,4-trichlorobenzene 203.71
    4-methylpyridine 395.94
    dibutyl ether 81.16
    2,6-dimethyl-4-heptanol 50.32
    DEF 351.05
    dimethyl isosorbide 281.6
    tetrachloroethylene 314.55
    eugenol 172.66
    triacetin 202.39
    span 80 151.79
    1,4-butanediol 157.74
    1,1-dichloroethane 371.05
    2-methyl-1-pentanol 186.77
    methyl formate 370.53
    2-methyl-1-butanol 202.94
    n-decane 6.31
    butyronitrile 310.11
    3,7-dimethyl-1-octanol 94.85
    1-chlorooctane 39.37
    1-chlorotetradecane 18.28
    n-nonane 4.84
    undecane 5.14
    tert-butylcyclohexane 6.56
    cyclooctane 2.49
    cyclopentanol 132.96
    tetrahydropyran 246.46
    tert-amyl methyl ether 160.38
    2,5,8-trioxanonane 389.24
    1-hexene 26.12
    2-isopropoxyethanol 329.97
    2,2,2-trifluoroethanol 287.25
    methyl butyrate 280.85

    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