Avenalumic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    135754-92-6

    Molecular formula
    C11H10O3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 57.74%
    Balsamic 57.42%
    Cinnamon 39.34%
    Sweet 39.13%
    Phenolic 34.05%
    Vanilla 29.74%
    Odorless 28.72%
    Warm 28.56%
    Aromatic 27.1%
    Burnt 24.42%

     

    Flavor
    Balsam 46.52%
    Sweet 37.75%
    Cinnamon 36.3%
    Odorless 33.03%
    Balsamic 32.22%
    Honey 29.84%
    Mild 24.99%
    Nutty 24.79%
    Phenolic 24.41%
    Spicy 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.58 (weak base)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point

    • 208.24 ˚C est.

  • Synonyms

    • Avenalumic acid
    • (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid
    • (2E,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid
    • 9DS0J94AFZ
    • UNII-9DS0J94AFZ
    • avenalumate
    • 2,4-Pentadienoic acid, 5-(4-hydroxyphenyl)-, (E,E)-
    • RefChem:115748
    • (2E,4E)-5-(4-Hydroxyphenyl)penta-2,4-dienoate
    • 135754-92-6
    • 2,4-Pentadienoic acid, 5-(4-hydroxyphenyl)-, (2E,4E)-
    • starbld0007408
    • orb1698268
    • SCHEMBL9998594
    • CHEBI:173912
    • DTXSID701233110
    • AKOS040750646
    • 135754-92-6

  • Applications

    Avenalumic acid may serve as an intermediate in organic synthesis, a chelating agent for metal ions in industrial processes or formulations, and a processing aid or stabilizer for polymers and plastics. It can be a component or precursor in coatings and ink formulations, and may be considered for cleaning formulations as a chelating or corrosion-inhibiting additive. In electronics-related manufacturing, it has potential to act as a complexing agent in etchants or specialty cleaners. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.78
    methanol 76.48
    isopropanol 27.15
    water 0.27
    ethyl acetate 14.41
    n-propanol 37.57
    acetone 45.89
    n-butanol 27.26
    acetonitrile 7.0
    DMF 80.36
    toluene 0.88
    isobutanol 16.14
    1,4-dioxane 26.35
    methyl acetate 22.57
    THF 90.46
    2-butanone 43.83
    n-pentanol 26.78
    sec-butanol 32.37
    n-hexane 0.09
    ethylene glycol 38.16
    NMP 39.8
    cyclohexane 0.03
    DMSO 171.16
    n-butyl acetate 16.77
    n-octanol 7.25
    chloroform 0.32
    n-propyl acetate 16.73
    acetic acid 29.71
    dichloromethane 0.14
    cyclohexanone 16.17
    propylene glycol 63.23
    isopropyl acetate 15.97
    DMAc 175.76
    2-ethoxyethanol 113.36
    isopentanol 28.47
    n-heptane 0.16
    ethyl formate 8.39
    1,2-dichloroethane 0.68
    n-hexanol 20.76
    2-methoxyethanol 149.21
    isobutyl acetate 10.39
    tetrachloromethane 0.33
    n-pentyl acetate 8.0
    transcutol 263.45
    n-heptanol 9.83
    ethylbenzene 1.69
    MIBK 22.55
    2-propoxyethanol 81.2
    tert-butanol 52.52
    MTBE 28.56
    2-butoxyethanol 40.98
    propionic acid 27.54
    o-xylene 2.03
    formic acid 35.43
    diethyl ether 9.28
    m-xylene 1.65
    p-xylene 1.76
    chlorobenzene 0.8
    dimethyl carbonate 14.99
    n-octane 0.08
    formamide 88.09
    cyclopentanone 34.01
    2-pentanone 21.79
    anisole 18.34
    cyclopentyl methyl ether 13.96
    gamma-butyrolactone 38.55
    1-methoxy-2-propanol 105.77
    pyridine 8.17
    3-pentanone 12.57
    furfural 33.01
    n-dodecane 0.16
    diethylene glycol 96.78
    diisopropyl ether 4.57
    tert-amyl alcohol 58.45
    acetylacetone 33.87
    n-hexadecane 0.18
    acetophenone 17.94
    methyl propionate 18.21
    isopentyl acetate 19.65
    trichloroethylene 2.13
    n-nonanol 7.42
    cyclohexanol 8.7
    benzyl alcohol 17.64
    2-ethylhexanol 11.27
    isooctanol 8.88
    dipropyl ether 9.77
    1,2-dichlorobenzene 1.57
    ethyl lactate 23.25
    propylene carbonate 16.71
    n-methylformamide 39.51
    2-pentanol 17.93
    n-pentane 0.05
    1-propoxy-2-propanol 53.51
    1-methoxy-2-propyl acetate 39.64
    2-(2-methoxypropoxy) propanol 66.19
    mesitylene 1.73
    ε-caprolactone 20.05
    p-cymene 3.05
    epichlorohydrin 32.35
    1,1,1-trichloroethane 1.12
    2-aminoethanol 72.38
    morpholine-4-carbaldehyde 63.65
    sulfolane 64.45
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 29.06
    n-hexyl acetate 13.3
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 80.02
    sec-butyl acetate 15.83
    tert-butyl acetate 31.54
    decalin 0.24
    glycerin 101.24
    diglyme 121.66
    acrylic acid 23.89
    isopropyl myristate 6.95
    n-butyric acid 21.14
    acetyl acetate 9.06
    di(2-ethylhexyl) phthalate 10.57
    ethyl propionate 15.33
    nitromethane 51.61
    1,2-diethoxyethane 35.76
    benzonitrile 5.93
    trioctyl phosphate 6.51
    1-bromopropane 0.34
    gamma-valerolactone 56.48
    n-decanol 5.92
    triethyl phosphate 12.86
    4-methyl-2-pentanol 14.95
    propionitrile 7.92
    vinylene carbonate 11.01
    1,1,2-trichlorotrifluoroethane 53.31
    DMS 16.23
    cumene 2.35
    2-octanol 5.17
    2-hexanone 24.32
    octyl acetate 8.67
    limonene 3.39
    1,2-dimethoxyethane 103.59
    ethyl orthosilicate 12.31
    tributyl phosphate 8.94
    diacetone alcohol 74.56
    N,N-dimethylaniline 15.39
    acrylonitrile 10.31
    aniline 6.97
    1,3-propanediol 68.56
    bromobenzene 0.47
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 3.45
    2-methyl-cyclohexyl acetate 16.08
    tetrabutyl urea 13.87
    diisobutyl methanol 8.9
    2-phenylethanol 17.99
    styrene 1.66
    dioctyl adipate 14.39
    dimethyl sulfate 33.68
    ethyl butyrate 15.12
    methyl lactate 36.0
    butyl lactate 16.83
    diethyl carbonate 11.64
    propanediol butyl ether 44.65
    triethyl orthoformate 15.36
    p-tert-butyltoluene 3.31
    methyl 4-tert-butylbenzoate 25.38
    morpholine 51.53
    tert-butylamine 16.56
    n-dodecanol 4.43
    dimethoxymethane 58.48
    ethylene carbonate 8.1
    cyrene 46.18
    2-ethoxyethyl acetate 19.65
    2-ethylhexyl acetate 12.96
    1,2,4-trichlorobenzene 3.29
    4-methylpyridine 7.02
    dibutyl ether 7.68
    2,6-dimethyl-4-heptanol 8.9
    DEF 25.12
    dimethyl isosorbide 82.46
    tetrachloroethylene 2.4
    eugenol 32.42
    triacetin 24.38
    span 80 35.41
    1,4-butanediol 28.12
    1,1-dichloroethane 0.39
    2-methyl-1-pentanol 29.88
    methyl formate 19.98
    2-methyl-1-butanol 27.11
    n-decane 0.21
    butyronitrile 7.53
    3,7-dimethyl-1-octanol 10.51
    1-chlorooctane 1.31
    1-chlorotetradecane 0.74
    n-nonane 0.14
    undecane 0.18
    tert-butylcyclohexane 0.46
    cyclooctane 0.03
    cyclopentanol 10.81
    tetrahydropyran 9.99
    tert-amyl methyl ether 30.05
    2,5,8-trioxanonane 98.96
    1-hexene 0.8
    2-isopropoxyethanol 69.81
    2,2,2-trifluoroethanol 10.97
    methyl butyrate 18.84

    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