Dihydroavenanthramide D

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  • Identifiers

    CAS number
    697235-49-7

    Molecular formula
    C16H15NO4

    SMILES
    C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 45.03%
    Odorless 43.41%
    Grape 41.79%
    Savory 30.11%
    Meaty 26.51%
    Cooked 26.32%
    Bitter 25.84%
    Animal 23.02%
    Balsamic 22.76%
    Citrus 22.09%

     

    Flavor
    Odorless 55.01%
    Mild 45.54%
    Bitter 34.46%
    Fruity 30.75%
    Faint 27.38%
    Phenolic 25.75%
    Sour 24.04%
    Very mild 23.67%
    Grape 22.87%
    Orange flower 22.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.04 (weak base)

    Molecular weight
    285.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 242.33 ˚C est.

  • Synonyms

    • 697235-49-7
    • Hydroxyphenyl propamidobenzoic acid
    • Dihydroavenanthramide D
    • Benzoic acid, 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-
    • Symcalmin 143535
    • 25KRT26H77
    • Benzoic acid, 2-((3-(4-hydroxyphenyl)-1-oxopropyl)amino)-
    • DTXSID80220022
    • DHAvD CPD
    • RefChem:133726
    • DTXCID80142513
    • 690-968-6
    • 2-(3-(4-Hydroxyphenyl)propanamido)benzoic acid
    • 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic Acid
    • 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]benzoic acid
    • MFCD26131465
    • 2-[3-(4-HYDROXYPHENYL)PROPANAMIDO]BENZOIC ACID
    • 2-((3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
    • UNII-25KRT26H77
    • SCHEMBL4330597
    • SCHEMBL29403073
    • 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-benzoic acid,
    • Hydoxyphenyl Propamidobenzoic Acid
    • DLFOKZQWYFNKCL-UHFFFAOYSA-N
    • MSK163811
    • AS-81958
    • SY059836
    • DB-292460
    • NS00077855
    • E78298
    • F825493
    • Q27253970
    • Dihydroavenanthramide D, Hydroxyphenyl Propamidobenzoic Acid
    • 697235-49-7

  • Applications

    Dihydroavenanthramide D (CAS 697235-49-7) is primarily considered in cosmetics and personal care as a polyphenolic active ingredient with antioxidant properties and potential skin-conditioning effects; it may be used to help stabilize formulations and support mild comfort in topical products. In pharmaceutical and dermatological research contexts, it is evaluated as a bioactive component for topical formulations with polyphenol-like activity. It can also serve as an intermediate in the synthesis of related avenanthramide derivatives, supporting research and development in specialty chemical manufacture. Additionally, its polyphenolic structure allows it to be explored as an antioxidant additive in select coatings or polymer formulations under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.56
    methanol 68.48
    isopropanol 16.37
    water 0.12
    ethyl acetate 9.06
    n-propanol 19.03
    acetone 55.49
    n-butanol 13.74
    acetonitrile 6.59
    DMF 190.61
    toluene 0.46
    isobutanol 7.98
    1,4-dioxane 34.51
    methyl acetate 13.43
    THF 184.42
    2-butanone 31.21
    n-pentanol 11.41
    sec-butanol 11.23
    n-hexane 0.03
    ethylene glycol 25.73
    NMP 55.0
    cyclohexane 0.02
    DMSO 445.65
    n-butyl acetate 5.27
    n-octanol 3.63
    chloroform 0.35
    n-propyl acetate 6.16
    acetic acid 26.99
    dichloromethane 0.38
    cyclohexanone 23.05
    propylene glycol 63.17
    isopropyl acetate 6.58
    DMAc 278.48
    2-ethoxyethanol 91.17
    isopentanol 12.81
    n-heptane 0.06
    ethyl formate 7.85
    1,2-dichloroethane 0.89
    n-hexanol 5.46
    2-methoxyethanol 215.49
    isobutyl acetate 3.14
    tetrachloromethane 0.11
    n-pentyl acetate 3.68
    transcutol 127.29
    n-heptanol 4.85
    ethylbenzene 0.53
    MIBK 10.65
    2-propoxyethanol 67.4
    tert-butanol 23.31
    MTBE 4.58
    2-butoxyethanol 25.66
    propionic acid 15.32
    o-xylene 0.6
    formic acid 34.26
    diethyl ether 2.65
    m-xylene 0.6
    p-xylene 0.8
    chlorobenzene 0.55
    dimethyl carbonate 13.12
    n-octane 0.04
    formamide 87.91
    cyclopentanone 58.39
    2-pentanone 17.6
    anisole 6.48
    cyclopentyl methyl ether 7.42
    gamma-butyrolactone 51.73
    1-methoxy-2-propanol 143.37
    pyridine 8.44
    3-pentanone 8.02
    furfural 30.02
    n-dodecane 0.08
    diethylene glycol 79.21
    diisopropyl ether 0.77
    tert-amyl alcohol 14.57
    acetylacetone 31.78
    n-hexadecane 0.1
    acetophenone 8.8
    methyl propionate 14.64
    isopentyl acetate 6.15
    trichloroethylene 2.04
    n-nonanol 4.15
    cyclohexanol 4.58
    benzyl alcohol 9.87
    2-ethylhexanol 2.67
    isooctanol 4.12
    dipropyl ether 3.39
    1,2-dichlorobenzene 0.86
    ethyl lactate 14.13
    propylene carbonate 13.88
    n-methylformamide 68.03
    2-pentanol 5.73
    n-pentane 0.02
    1-propoxy-2-propanol 34.22
    1-methoxy-2-propyl acetate 19.01
    2-(2-methoxypropoxy) propanol 31.16
    mesitylene 0.51
    ε-caprolactone 18.68
    p-cymene 0.81
    epichlorohydrin 47.38
    1,1,1-trichloroethane 0.56
    2-aminoethanol 58.51
    morpholine-4-carbaldehyde 73.02
    sulfolane 89.01
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 17.44
    n-hexyl acetate 5.81
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 45.69
    sec-butyl acetate 4.12
    tert-butyl acetate 9.61
    decalin 0.05
    glycerin 102.1
    diglyme 73.11
    acrylic acid 15.71
    isopropyl myristate 3.3
    n-butyric acid 16.55
    acetyl acetate 5.58
    di(2-ethylhexyl) phthalate 5.51
    ethyl propionate 7.14
    nitromethane 70.54
    1,2-diethoxyethane 17.18
    benzonitrile 4.12
    trioctyl phosphate 3.75
    1-bromopropane 0.31
    gamma-valerolactone 86.09
    n-decanol 3.3
    triethyl phosphate 5.05
    4-methyl-2-pentanol 4.13
    propionitrile 5.72
    vinylene carbonate 9.85
    1,1,2-trichlorotrifluoroethane 39.22
    DMS 8.2
    cumene 0.58
    2-octanol 2.42
    2-hexanone 10.99
    octyl acetate 4.54
    limonene 0.94
    1,2-dimethoxyethane 88.92
    ethyl orthosilicate 4.67
    tributyl phosphate 4.35
    diacetone alcohol 37.02
    N,N-dimethylaniline 5.19
    acrylonitrile 10.59
    aniline 3.06
    1,3-propanediol 70.88
    bromobenzene 0.34
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 2.98
    2-methyl-cyclohexyl acetate 6.7
    tetrabutyl urea 8.89
    diisobutyl methanol 2.33
    2-phenylethanol 8.64
    styrene 0.58
    dioctyl adipate 6.97
    dimethyl sulfate 28.83
    ethyl butyrate 5.81
    methyl lactate 34.39
    butyl lactate 9.83
    diethyl carbonate 4.61
    propanediol butyl ether 26.0
    triethyl orthoformate 6.64
    p-tert-butyltoluene 0.79
    methyl 4-tert-butylbenzoate 15.13
    morpholine 60.99
    tert-butylamine 3.33
    n-dodecanol 2.35
    dimethoxymethane 107.62
    ethylene carbonate 8.09
    cyrene 33.6
    2-ethoxyethyl acetate 10.12
    2-ethylhexyl acetate 3.74
    1,2,4-trichlorobenzene 1.5
    4-methylpyridine 5.92
    dibutyl ether 3.26
    2,6-dimethyl-4-heptanol 2.33
    DEF 24.46
    dimethyl isosorbide 46.58
    tetrachloroethylene 1.39
    eugenol 18.82
    triacetin 12.29
    span 80 18.9
    1,4-butanediol 25.19
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 9.13
    methyl formate 35.76
    2-methyl-1-butanol 9.75
    n-decane 0.11
    butyronitrile 5.51
    3,7-dimethyl-1-octanol 3.73
    1-chlorooctane 0.61
    1-chlorotetradecane 0.39
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 9.98
    tetrahydropyran 7.12
    tert-amyl methyl ether 4.65
    2,5,8-trioxanonane 58.58
    1-hexene 0.25
    2-isopropoxyethanol 39.55
    2,2,2-trifluoroethanol 8.44
    methyl butyrate 10.14

    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