Piperoic acid

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  • Identifiers

    CAS number
    110979-04-9

    Molecular formula
    C22H30O4

    SMILES
    CC(=CCC/C(=C\CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 45.42%
    Fruity 38.8%
    Balsamic 35.23%
    Woody 34.63%
    Spicy 29.62%
    Waxy 28.76%
    Sweet 27.82%
    Odorless 27.65%
    Fresh 27.63%
    Citrus 26.71%

     

    Flavor
    Woody 46.25%
    Floral 35.43%
    Herbal 35.3%
    Spicy 32.92%
    Bitter 29.81%
    Balsam 29.44%
    Mild 26.49%
    Wood 26.3%
    Flower 24.49%
    Spice 23.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    8.74 (weak base)

    Molecular weight
    358.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    505°C

    Flash point

    • 232.11 ˚C est.

  • Synonyms

    • Piperoic acid
    • CHEBI:174808
    • DTXSID401138086
    • 110979-04-9
    • 3,4-Dihydroxy-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid, 9CI
    • 3,4-DIHYDROXY-5-[(2E,6Z)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL]BENZOIC ACID
    • 3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
    • Benzoic acid, 3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-
    • 110979-04-9

  • Applications

    Piperoic acid (CAS 110979-04-9) is primarily used as an organic synthesis intermediate and is commonly evaluated as a building block for specialty chemicals. In industry, it may function as a processing aid or co-solvent in manufacturing, and serves as a precursor for fragrance-related or specialty materials. It is also considered as a component for coatings, inks, and adhesive formulations, providing a source of functional groups during formulation. Additionally, Piperoic acid may serve as a precursor in polymer chemistry and could appear in cosmetics/personal care formulations as a fragrance-related ingredient or processing additive, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.35
    methanol 89.94
    isopropanol 35.03
    water 0.02
    ethyl acetate 54.29
    n-propanol 66.45
    acetone 30.53
    n-butanol 51.43
    acetonitrile 7.02
    DMF 73.23
    toluene 7.83
    isobutanol 23.96
    1,4-dioxane 60.76
    methyl acetate 36.0
    THF 194.84
    2-butanone 72.41
    n-pentanol 40.1
    sec-butanol 50.98
    n-hexane 0.74
    ethylene glycol 2.19
    NMP 39.91
    cyclohexane 0.57
    DMSO 64.24
    n-butyl acetate 20.02
    n-octanol 12.45
    chloroform 18.97
    n-propyl acetate 20.94
    acetic acid 28.06
    dichloromethane 15.82
    cyclohexanone 35.15
    propylene glycol 11.82
    isopropyl acetate 33.18
    DMAc 192.67
    2-ethoxyethanol 115.22
    isopentanol 35.25
    n-heptane 0.57
    ethyl formate 11.42
    1,2-dichloroethane 13.59
    n-hexanol 26.64
    2-methoxyethanol 155.78
    isobutyl acetate 11.92
    tetrachloromethane 2.26
    n-pentyl acetate 20.71
    transcutol 267.01
    n-heptanol 17.25
    ethylbenzene 6.12
    MIBK 26.02
    2-propoxyethanol 94.06
    tert-butanol 45.7
    MTBE 64.25
    2-butoxyethanol 55.25
    propionic acid 19.71
    o-xylene 6.43
    formic acid 9.81
    diethyl ether 49.7
    m-xylene 6.49
    p-xylene 5.93
    chlorobenzene 4.98
    dimethyl carbonate 13.46
    n-octane 0.42
    formamide 24.76
    cyclopentanone 43.63
    2-pentanone 50.16
    anisole 31.86
    cyclopentyl methyl ether 40.6
    gamma-butyrolactone 36.81
    1-methoxy-2-propanol 136.7
    pyridine 33.53
    3-pentanone 32.39
    furfural 23.88
    n-dodecane 0.33
    diethylene glycol 29.77
    diisopropyl ether 8.37
    tert-amyl alcohol 64.18
    acetylacetone 38.86
    n-hexadecane 0.36
    acetophenone 21.57
    methyl propionate 46.85
    isopentyl acetate 23.85
    trichloroethylene 29.69
    n-nonanol 13.76
    cyclohexanol 16.99
    benzyl alcohol 21.15
    2-ethylhexanol 12.23
    isooctanol 14.75
    dipropyl ether 17.72
    1,2-dichlorobenzene 5.75
    ethyl lactate 14.36
    propylene carbonate 13.95
    n-methylformamide 27.65
    2-pentanol 32.98
    n-pentane 0.66
    1-propoxy-2-propanol 62.31
    1-methoxy-2-propyl acetate 46.01
    2-(2-methoxypropoxy) propanol 50.65
    mesitylene 3.71
    ε-caprolactone 41.14
    p-cymene 3.86
    epichlorohydrin 72.37
    1,1,1-trichloroethane 9.39
    2-aminoethanol 17.03
    morpholine-4-carbaldehyde 72.52
    sulfolane 39.78
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 80.86
    n-hexyl acetate 26.58
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 78.59
    sec-butyl acetate 20.71
    tert-butyl acetate 44.2
    decalin 0.76
    glycerin 15.67
    diglyme 129.19
    acrylic acid 11.41
    isopropyl myristate 8.91
    n-butyric acid 40.51
    acetyl acetate 15.06
    di(2-ethylhexyl) phthalate 10.06
    ethyl propionate 23.74
    nitromethane 40.76
    1,2-diethoxyethane 58.56
    benzonitrile 6.31
    trioctyl phosphate 6.7
    1-bromopropane 9.49
    gamma-valerolactone 91.63
    n-decanol 8.84
    triethyl phosphate 8.85
    4-methyl-2-pentanol 18.41
    propionitrile 11.48
    vinylene carbonate 10.02
    1,1,2-trichlorotrifluoroethane 42.9
    DMS 14.97
    cumene 4.72
    2-octanol 10.48
    2-hexanone 27.53
    octyl acetate 12.5
    limonene 5.52
    1,2-dimethoxyethane 126.19
    ethyl orthosilicate 11.44
    tributyl phosphate 7.15
    diacetone alcohol 67.51
    N,N-dimethylaniline 21.08
    acrylonitrile 10.35
    aniline 14.5
    1,3-propanediol 37.77
    bromobenzene 4.26
    dibromomethane 8.36
    1,1,2,2-tetrachloroethane 29.38
    2-methyl-cyclohexyl acetate 18.7
    tetrabutyl urea 11.62
    diisobutyl methanol 8.61
    2-phenylethanol 20.88
    styrene 6.01
    dioctyl adipate 14.8
    dimethyl sulfate 17.35
    ethyl butyrate 17.55
    methyl lactate 21.33
    butyl lactate 21.4
    diethyl carbonate 9.04
    propanediol butyl ether 37.28
    triethyl orthoformate 17.62
    p-tert-butyltoluene 4.54
    methyl 4-tert-butylbenzoate 29.87
    morpholine 137.31
    tert-butylamine 17.97
    n-dodecanol 5.4
    dimethoxymethane 109.0
    ethylene carbonate 8.46
    cyrene 38.2
    2-ethoxyethyl acetate 42.79
    2-ethylhexyl acetate 15.73
    1,2,4-trichlorobenzene 8.88
    4-methylpyridine 24.48
    dibutyl ether 13.26
    2,6-dimethyl-4-heptanol 8.61
    DEF 59.54
    dimethyl isosorbide 72.25
    tetrachloroethylene 15.13
    eugenol 29.21
    triacetin 26.49
    span 80 36.15
    1,4-butanediol 10.23
    1,1-dichloroethane 11.39
    2-methyl-1-pentanol 35.73
    methyl formate 11.89
    2-methyl-1-butanol 38.69
    n-decane 0.69
    butyronitrile 13.54
    3,7-dimethyl-1-octanol 13.19
    1-chlorooctane 4.06
    1-chlorotetradecane 1.24
    n-nonane 0.54
    undecane 0.45
    tert-butylcyclohexane 0.96
    cyclooctane 0.32
    cyclopentanol 14.96
    tetrahydropyran 61.26
    tert-amyl methyl ether 57.16
    2,5,8-trioxanonane 83.48
    1-hexene 5.17
    2-isopropoxyethanol 67.35
    2,2,2-trifluoroethanol 5.08
    methyl butyrate 24.9

    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