2-(Ethylamino)-4,5-dihydroxybenzamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    127793-87-7

    Molecular formula
    C9H12N2O3

    SMILES
    CCNC1=CC(=C(C=C1C(=O)N)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.9%
    Savory 31.99%
    Meaty 27.95%
    Burnt 22.22%
    Cooling 21.82%
    Bitter 18.93%
    Cheesy 18.42%
    Animal 18.36%
    Cooked 18.27%
    Fishy 17.77%

     

    Flavor
    Bitter 51.47%
    Odorless 50.39%
    Mild 39.84%
    Bland 25.29%
    Sweet-like 22.02%
    Phenolic 21.74%
    Orange flower 20.62%
    Nitrile 20.12%
    Yeast 19.73%
    Taco 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.53 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    521°C

    Flash point

    • 202.84 ˚C est.

  • Synonyms

    • 2-(Ethylamino)-4,5-dihydroxybenzamide
    • 127793-87-7
    • Benzamide, 2-(ethylamino)-4,5-dihydroxy-
    • SCHEMBL29583577
    • DTXSID20438184
    • CHEBI:165205
    • 3,4-dihydroxy-6-(N-ethylamino)benzamid
    • 2-(Ethylamino)-4,5-dihydroxybenzamide, 9CI
    • 127793-87-7

  • Applications

    2-(Ethylamino)-4,5-dihydroxybenzamide (CAS 127793-87-7) is primarily used as an organic synthesis intermediate, serving as a building block for pharmaceutical-like compounds and polymer research. In materials science, the catechol functionality enables surface interactions and crosslinking, so the compound may be used as a precursor for coatings, adhesives, and surface-functionalized polymers. It can act as a chelating ligand for metal ions in coordination chemistry and catalysis. The catechol moiety also suggests potential as an antioxidant or stabilizing additive in polymer formulations. Additionally, its derivatizable scaffold makes it suitable for medicinal-chemistry exploration and for development of dye/pigment-related chemistries. Actual applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.29
    methanol 12.79
    isopropanol 2.07
    water 3.37
    ethyl acetate 2.19
    n-propanol 2.18
    acetone 4.12
    n-butanol 1.95
    acetonitrile 2.18
    DMF 70.07
    toluene 0.34
    isobutanol 1.56
    1,4-dioxane 4.77
    methyl acetate 2.23
    THF 27.99
    2-butanone 2.5
    n-pentanol 2.15
    sec-butanol 1.36
    n-hexane 0.08
    ethylene glycol 16.38
    NMP 115.92
    cyclohexane 0.11
    DMSO 232.43
    n-butyl acetate 2.85
    n-octanol 1.56
    chloroform 0.22
    n-propyl acetate 2.08
    acetic acid 18.81
    dichloromethane 0.55
    cyclohexanone 9.29
    propylene glycol 11.89
    isopropyl acetate 1.61
    DMAc 93.99
    2-ethoxyethanol 16.46
    isopentanol 2.43
    n-heptane 0.21
    ethyl formate 4.56
    1,2-dichloroethane 0.77
    n-hexanol 3.55
    2-methoxyethanol 37.03
    isobutyl acetate 1.16
    tetrachloromethane 0.28
    n-pentyl acetate 1.97
    transcutol 9.18
    n-heptanol 2.79
    ethylbenzene 0.51
    MIBK 2.19
    2-propoxyethanol 17.41
    tert-butanol 4.65
    MTBE 1.02
    2-butoxyethanol 9.59
    propionic acid 6.07
    o-xylene 0.79
    formic acid 47.48
    diethyl ether 0.63
    m-xylene 0.69
    p-xylene 0.78
    chlorobenzene 0.47
    dimethyl carbonate 4.42
    n-octane 0.1
    formamide 47.99
    cyclopentanone 22.57
    2-pentanone 2.58
    anisole 1.93
    cyclopentyl methyl ether 4.0
    gamma-butyrolactone 34.06
    1-methoxy-2-propanol 18.06
    pyridine 3.2
    3-pentanone 1.84
    furfural 26.69
    n-dodecane 0.08
    diethylene glycol 27.79
    diisopropyl ether 0.35
    tert-amyl alcohol 3.17
    acetylacetone 7.0
    n-hexadecane 0.09
    acetophenone 4.59
    methyl propionate 3.81
    isopentyl acetate 2.99
    trichloroethylene 1.18
    n-nonanol 1.6
    cyclohexanol 2.37
    benzyl alcohol 4.15
    2-ethylhexanol 2.23
    isooctanol 2.29
    dipropyl ether 1.58
    1,2-dichlorobenzene 0.91
    ethyl lactate 5.85
    propylene carbonate 12.22
    n-methylformamide 25.78
    2-pentanol 1.01
    n-pentane 0.06
    1-propoxy-2-propanol 9.14
    1-methoxy-2-propyl acetate 6.71
    2-(2-methoxypropoxy) propanol 8.83
    mesitylene 0.61
    ε-caprolactone 11.24
    p-cymene 1.0
    epichlorohydrin 14.48
    1,1,1-trichloroethane 0.44
    2-aminoethanol 16.02
    morpholine-4-carbaldehyde 44.49
    sulfolane 82.23
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 6.5
    n-hexyl acetate 2.4
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 9.29
    sec-butyl acetate 1.3
    tert-butyl acetate 2.62
    decalin 0.12
    glycerin 37.85
    diglyme 14.99
    acrylic acid 9.9
    isopropyl myristate 1.1
    n-butyric acid 6.74
    acetyl acetate 2.43
    di(2-ethylhexyl) phthalate 3.31
    ethyl propionate 2.22
    nitromethane 24.98
    1,2-diethoxyethane 1.96
    benzonitrile 2.75
    trioctyl phosphate 2.56
    1-bromopropane 0.28
    gamma-valerolactone 34.78
    n-decanol 1.26
    triethyl phosphate 3.54
    4-methyl-2-pentanol 1.15
    propionitrile 1.4
    vinylene carbonate 8.76
    1,1,2-trichlorotrifluoroethane 24.72
    DMS 3.69
    cumene 0.61
    2-octanol 1.23
    2-hexanone 2.28
    octyl acetate 1.8
    limonene 1.22
    1,2-dimethoxyethane 15.81
    ethyl orthosilicate 2.91
    tributyl phosphate 2.21
    diacetone alcohol 10.31
    N,N-dimethylaniline 2.71
    acrylonitrile 3.59
    aniline 1.53
    1,3-propanediol 15.44
    bromobenzene 0.33
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 1.28
    2-methyl-cyclohexyl acetate 3.92
    tetrabutyl urea 4.22
    diisobutyl methanol 1.33
    2-phenylethanol 5.08
    styrene 0.39
    dioctyl adipate 2.82
    dimethyl sulfate 20.07
    ethyl butyrate 2.74
    methyl lactate 12.62
    butyl lactate 4.1
    diethyl carbonate 2.6
    propanediol butyl ether 7.5
    triethyl orthoformate 2.9
    p-tert-butyltoluene 0.9
    methyl 4-tert-butylbenzoate 7.18
    morpholine 9.5
    tert-butylamine 1.14
    n-dodecanol 0.95
    dimethoxymethane 15.08
    ethylene carbonate 6.49
    cyrene 20.98
    2-ethoxyethyl acetate 3.39
    2-ethylhexyl acetate 2.13
    1,2,4-trichlorobenzene 1.46
    4-methylpyridine 3.24
    dibutyl ether 0.75
    2,6-dimethyl-4-heptanol 1.33
    DEF 9.83
    dimethyl isosorbide 16.72
    tetrachloroethylene 1.22
    eugenol 8.19
    triacetin 4.39
    span 80 7.31
    1,4-butanediol 8.47
    1,1-dichloroethane 0.23
    2-methyl-1-pentanol 2.42
    methyl formate 18.81
    2-methyl-1-butanol 1.98
    n-decane 0.11
    butyronitrile 1.58
    3,7-dimethyl-1-octanol 1.44
    1-chlorooctane 0.39
    1-chlorotetradecane 0.22
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.1
    cyclooctane 0.08
    cyclopentanol 5.36
    tetrahydropyran 1.95
    tert-amyl methyl ether 1.28
    2,5,8-trioxanonane 13.98
    1-hexene 0.25
    2-isopropoxyethanol 8.18
    2,2,2-trifluoroethanol 12.29
    methyl butyrate 3.6

    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