2,4-Dihydroxybenzoic acid vanillylamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    877207-36-8

    Molecular formula
    C15H15NO5

    SMILES
    COC1=C(C=CC(=C1)CNC(=O)C2=C(C=C(C=C2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.37%
    Phenolic 33.73%
    Savory 32.63%
    Vanilla 28.98%
    Burnt 25.57%
    Spicy 25.08%
    Sweet 24.34%
    Bitter 23.97%
    Milky 23.96%
    Meaty 23.6%

     

    Flavor
    Bitter 83.88%
    Odorless 45.11%
    Bland 32.06%
    Mild 30.38%
    Sweet-like 23.18%
    Cedarleaf 20.43%
    Nitrile 20.32%
    Parsley 20.31%
    Lovage 20.22%
    Orange flower 20.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    10.34 (weak base)

    Molecular weight
    289.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    580°C

    Flash point

    • 228.54 ˚C est.

  • Synonyms

    • Q7VUL5FI7G
    • Fema No. 4835
    • 877207-36-8
    • UNII-Q7VUL5FI7G
    • 2,4-dihydroxybenzoic acid vanillylamide
    • 2,4-Dihydroxy-N-((4-hydroxy-3-methoxyphenyl)methyl)benzamide
    • 2,4-dihydroxy-n-[(4-hydroxy-3-methoxyphenyl)methyl]benzamide
    • RefChem:197376
    • Benzamide, 2,4-dihydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-
    • SCHEMBL898313
    • DTXSID80468801
    • 2,4-dihydroxybenzoic acid N-(4-hydroxy-3-methoxybenzyl)-amide
    • 877207-36-8

  • Applications

    2,4-Dihydroxybenzoic acid vanillylamide (CAS 877207-36-8) is primarily used as an intermediate in the synthesis of vanillyl-containing aroma compounds, supporting fragrance and flavor formulations; it is also employed as a precursor in cosmetic and personal care products to introduce aroma notes; the compound is evaluated as a building block for pharmaceutical and agrochemical synthesis; in polymer and coating formulations, it may function as an antioxidant precursor or stabilizer; and it appears as a fragrance component in cleaning and household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.25
    methanol 34.92
    isopropanol 20.94
    water 0.05
    ethyl acetate 11.67
    n-propanol 24.53
    acetone 38.75
    n-butanol 15.05
    acetonitrile 5.97
    DMF 146.97
    toluene 0.45
    isobutanol 9.39
    1,4-dioxane 24.32
    methyl acetate 13.32
    THF 309.28
    2-butanone 34.53
    n-pentanol 9.12
    sec-butanol 17.17
    n-hexane 0.07
    ethylene glycol 26.56
    NMP 48.71
    cyclohexane 0.05
    DMSO 878.27
    n-butyl acetate 3.66
    n-octanol 4.18
    chloroform 0.55
    n-propyl acetate 5.03
    acetic acid 29.05
    dichloromethane 0.43
    cyclohexanone 24.07
    propylene glycol 52.72
    isopropyl acetate 7.73
    DMAc 179.21
    2-ethoxyethanol 71.83
    isopentanol 10.55
    n-heptane 0.17
    ethyl formate 7.72
    1,2-dichloroethane 1.05
    n-hexanol 5.96
    2-methoxyethanol 181.95
    isobutyl acetate 2.37
    tetrachloromethane 0.18
    n-pentyl acetate 3.71
    transcutol 74.71
    n-heptanol 5.04
    ethylbenzene 0.4
    MIBK 12.05
    2-propoxyethanol 52.77
    tert-butanol 31.38
    MTBE 6.88
    2-butoxyethanol 20.04
    propionic acid 16.79
    o-xylene 0.54
    formic acid 35.98
    diethyl ether 5.22
    m-xylene 0.56
    p-xylene 0.48
    chlorobenzene 0.38
    dimethyl carbonate 16.43
    n-octane 0.11
    formamide 87.33
    cyclopentanone 74.24
    2-pentanone 23.82
    anisole 3.92
    cyclopentyl methyl ether 13.11
    gamma-butyrolactone 65.54
    1-methoxy-2-propanol 137.54
    pyridine 5.92
    3-pentanone 11.92
    furfural 28.67
    n-dodecane 0.13
    diethylene glycol 68.36
    diisopropyl ether 1.16
    tert-amyl alcohol 19.88
    acetylacetone 35.88
    n-hexadecane 0.15
    acetophenone 5.64
    methyl propionate 19.43
    isopentyl acetate 4.33
    trichloroethylene 2.5
    n-nonanol 4.52
    cyclohexanol 7.48
    benzyl alcohol 6.0
    2-ethylhexanol 2.93
    isooctanol 4.17
    dipropyl ether 4.35
    1,2-dichlorobenzene 0.6
    ethyl lactate 14.65
    propylene carbonate 12.93
    n-methylformamide 59.18
    2-pentanol 9.07
    n-pentane 0.05
    1-propoxy-2-propanol 30.36
    1-methoxy-2-propyl acetate 17.19
    2-(2-methoxypropoxy) propanol 24.63
    mesitylene 0.46
    ε-caprolactone 16.59
    p-cymene 0.68
    epichlorohydrin 53.66
    1,1,1-trichloroethane 0.66
    2-aminoethanol 46.89
    morpholine-4-carbaldehyde 58.11
    sulfolane 136.8
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 25.87
    n-hexyl acetate 5.88
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 31.45
    sec-butyl acetate 3.46
    tert-butyl acetate 11.64
    decalin 0.07
    glycerin 112.92
    diglyme 53.71
    acrylic acid 17.15
    isopropyl myristate 3.03
    n-butyric acid 16.93
    acetyl acetate 6.06
    di(2-ethylhexyl) phthalate 4.0
    ethyl propionate 7.18
    nitromethane 90.49
    1,2-diethoxyethane 11.71
    benzonitrile 2.59
    trioctyl phosphate 3.5
    1-bromopropane 0.62
    gamma-valerolactone 82.59
    n-decanol 3.39
    triethyl phosphate 4.73
    4-methyl-2-pentanol 4.84
    propionitrile 6.82
    vinylene carbonate 9.13
    1,1,2-trichlorotrifluoroethane 45.34
    DMS 7.22
    cumene 0.38
    2-octanol 3.09
    2-hexanone 9.22
    octyl acetate 4.04
    limonene 1.05
    1,2-dimethoxyethane 71.8
    ethyl orthosilicate 4.18
    tributyl phosphate 3.7
    diacetone alcohol 40.03
    N,N-dimethylaniline 3.27
    acrylonitrile 11.05
    aniline 2.85
    1,3-propanediol 67.2
    bromobenzene 0.24
    dibromomethane 0.28
    1,1,2,2-tetrachloroethane 3.37
    2-methyl-cyclohexyl acetate 4.63
    tetrabutyl urea 6.69
    diisobutyl methanol 2.78
    2-phenylethanol 5.68
    styrene 0.38
    dioctyl adipate 5.95
    dimethyl sulfate 40.84
    ethyl butyrate 5.06
    methyl lactate 39.13
    butyl lactate 8.71
    diethyl carbonate 3.94
    propanediol butyl ether 21.08
    triethyl orthoformate 5.83
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 11.49
    morpholine 54.07
    tert-butylamine 4.66
    n-dodecanol 2.45
    dimethoxymethane 113.7
    ethylene carbonate 7.57
    cyrene 28.65
    2-ethoxyethyl acetate 9.06
    2-ethylhexyl acetate 2.63
    1,2,4-trichlorobenzene 1.08
    4-methylpyridine 4.52
    dibutyl ether 3.58
    2,6-dimethyl-4-heptanol 2.78
    DEF 24.7
    dimethyl isosorbide 35.64
    tetrachloroethylene 1.65
    eugenol 13.01
    triacetin 11.27
    span 80 15.02
    1,4-butanediol 19.94
    1,1-dichloroethane 0.56
    2-methyl-1-pentanol 6.45
    methyl formate 34.93
    2-methyl-1-butanol 9.62
    n-decane 0.23
    butyronitrile 5.51
    3,7-dimethyl-1-octanol 3.98
    1-chlorooctane 0.99
    1-chlorotetradecane 0.45
    n-nonane 0.18
    undecane 0.18
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 15.79
    tetrahydropyran 11.04
    tert-amyl methyl ether 7.06
    2,5,8-trioxanonane 43.4
    1-hexene 0.41
    2-isopropoxyethanol 30.38
    2,2,2-trifluoroethanol 12.37
    methyl butyrate 9.33

    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