1,3-Benzenedicarboxamide, 5-hydroxy-

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  • Identifiers

    CAS number
    68052-43-7

    Molecular formula
    C8H8N2O3

    SMILES
    C1=C(C=C(C=C1C(=O)N)O)C(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.88%
    Savory 29.24%
    Bitter 24.61%
    Burnt 23.13%
    Milky 22.52%
    Cooked 22.04%
    Meaty 20.85%
    Sweet 20.15%
    Grape 18.08%
    Roasted 17.18%

     

    Flavor
    Odorless 51.95%
    Bitter 49.96%
    Mild 32.91%
    Nutty 29.23%
    Very mild 24.81%
    Phenolic 23.89%
    Faint 21.84%
    Bread crust 21.72%
    Nitrile 21.58%
    Bland 21.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.52 (neutral)

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    538°C

    Flash point

    • 222.82 ˚C est.

  • Synonyms

    • 5-Hydroxyisophthalamide
    • 68052-43-7
    • 1,3-Benzenedicarboxamide, 5-hydroxy-
    • EINECS 268-322-6
    • DTXSID5071040
    • RefChem:412898
    • DTXCID9045473
    • 5-Hydroxyisophthaldiamide
    • 5-hydroxybenzene-1,3-dicarboxamide
    • MFCD16038667
    • 5-Hydroxy-1,3-benzenedicarboxamide
    • SCHEMBL1807478
    • SCHEMBL1807480
    • DAKUZVFMMZMWMT-UHFFFAOYSA-N
    • AKOS015888791
    • DS-1782
    • MB14832
    • SY035525
    • DB-002127
    • CS-0360792
    • NS00036383
    • 68052-43-7

  • Applications

    Chemical name: 1,3-Benzenedicarboxamide, 5-hydroxy-; CAS number: 68052-43-7 is an aromatic diamide bearing a phenolic hydroxy group on the ring, which makes it a versatile building block in chemical synthesis. It is commonly evaluated as an intermediate for pharmaceutical and agrochemical production, and can serve as a precursor or co-monomer for specialty polymers and functional materials. In coatings, inks, and adhesives formulations, it may act as a functional additive or crosslinking component to enhance performance and adhesion. It can also function as a ligand in coordination chemistry and catalysis, and may be explored as a precursor for electronic or advanced-material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.43
    methanol 7.71
    isopropanol 1.19
    water 3.68
    ethyl acetate 0.63
    n-propanol 1.55
    acetone 4.23
    n-butanol 1.16
    acetonitrile 2.3
    DMF 37.8
    toluene 0.21
    isobutanol 0.68
    1,4-dioxane 7.31
    methyl acetate 1.21
    THF 13.16
    2-butanone 1.86
    n-pentanol 0.93
    sec-butanol 0.67
    n-hexane 0.11
    ethylene glycol 5.49
    NMP 29.31
    cyclohexane 0.08
    DMSO 57.35
    n-butyl acetate 0.82
    n-octanol 0.64
    chloroform 0.12
    n-propyl acetate 0.6
    acetic acid 2.71
    dichloromethane 0.34
    cyclohexanone 2.9
    propylene glycol 2.48
    isopropyl acetate 0.39
    DMAc 38.15
    2-ethoxyethanol 6.14
    isopentanol 0.82
    n-heptane 0.21
    ethyl formate 2.56
    1,2-dichloroethane 0.43
    n-hexanol 1.19
    2-methoxyethanol 13.32
    isobutyl acetate 0.23
    tetrachloromethane 0.14
    n-pentyl acetate 0.6
    transcutol 2.21
    n-heptanol 1.21
    ethylbenzene 0.3
    MIBK 0.65
    2-propoxyethanol 6.25
    tert-butanol 1.24
    MTBE 0.45
    2-butoxyethanol 3.81
    propionic acid 1.15
    o-xylene 0.35
    formic acid 11.84
    diethyl ether 0.8
    m-xylene 0.21
    p-xylene 0.45
    chlorobenzene 0.16
    dimethyl carbonate 1.44
    n-octane 0.1
    formamide 16.92
    cyclopentanone 6.91
    2-pentanone 1.2
    anisole 1.01
    cyclopentyl methyl ether 1.46
    gamma-butyrolactone 7.97
    1-methoxy-2-propanol 5.04
    pyridine 2.93
    3-pentanone 1.04
    furfural 9.07
    n-dodecane 0.06
    diethylene glycol 8.99
    diisopropyl ether 0.14
    tert-amyl alcohol 0.8
    acetylacetone 1.62
    n-hexadecane 0.07
    acetophenone 1.51
    methyl propionate 1.18
    isopentyl acetate 0.68
    trichloroethylene 0.34
    n-nonanol 0.69
    cyclohexanol 0.65
    benzyl alcohol 1.34
    2-ethylhexanol 0.69
    isooctanol 0.79
    dipropyl ether 1.2
    1,2-dichlorobenzene 0.23
    ethyl lactate 1.31
    propylene carbonate 2.31
    n-methylformamide 12.96
    2-pentanol 0.4
    n-pentane 0.05
    1-propoxy-2-propanol 2.65
    1-methoxy-2-propyl acetate 1.53
    2-(2-methoxypropoxy) propanol 2.71
    mesitylene 0.2
    ε-caprolactone 2.64
    p-cymene 0.38
    epichlorohydrin 5.06
    1,1,1-trichloroethane 0.14
    2-aminoethanol 5.33
    morpholine-4-carbaldehyde 20.41
    sulfolane 15.07
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 2.55
    n-hexyl acetate 0.61
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 2.99
    sec-butyl acetate 0.29
    tert-butyl acetate 0.51
    decalin 0.07
    glycerin 6.82
    diglyme 6.26
    acrylic acid 1.81
    isopropyl myristate 0.33
    n-butyric acid 1.07
    acetyl acetate 0.5
    di(2-ethylhexyl) phthalate 0.91
    ethyl propionate 0.77
    nitromethane 7.58
    1,2-diethoxyethane 0.97
    benzonitrile 0.97
    trioctyl phosphate 0.72
    1-bromopropane 0.22
    gamma-valerolactone 13.48
    n-decanol 0.55
    triethyl phosphate 1.02
    4-methyl-2-pentanol 0.29
    propionitrile 1.13
    vinylene carbonate 2.06
    1,1,2-trichlorotrifluoroethane 5.32
    DMS 0.72
    cumene 0.27
    2-octanol 0.51
    2-hexanone 1.0
    octyl acetate 0.56
    limonene 0.43
    1,2-dimethoxyethane 11.48
    ethyl orthosilicate 0.91
    tributyl phosphate 0.56
    diacetone alcohol 1.78
    N,N-dimethylaniline 1.3
    acrylonitrile 2.22
    aniline 0.6
    1,3-propanediol 4.85
    bromobenzene 0.12
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 0.41
    2-methyl-cyclohexyl acetate 0.91
    tetrabutyl urea 1.52
    diisobutyl methanol 0.41
    2-phenylethanol 1.51
    styrene 0.24
    dioctyl adipate 0.73
    dimethyl sulfate 4.25
    ethyl butyrate 0.99
    methyl lactate 2.54
    butyl lactate 1.07
    diethyl carbonate 0.85
    propanediol butyl ether 2.08
    triethyl orthoformate 0.99
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 2.12
    morpholine 7.93
    tert-butylamine 0.5
    n-dodecanol 0.42
    dimethoxymethane 10.85
    ethylene carbonate 1.67
    cyrene 6.3
    2-ethoxyethyl acetate 0.92
    2-ethylhexyl acetate 0.57
    1,2,4-trichlorobenzene 0.31
    4-methylpyridine 2.04
    dibutyl ether 0.44
    2,6-dimethyl-4-heptanol 0.41
    DEF 4.46
    dimethyl isosorbide 5.41
    tetrachloroethylene 0.47
    eugenol 2.67
    triacetin 0.92
    span 80 1.87
    1,4-butanediol 2.6
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.63
    methyl formate 9.5
    2-methyl-1-butanol 0.7
    n-decane 0.1
    butyronitrile 1.19
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.22
    1-chlorotetradecane 0.12
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 1.37
    tetrahydropyran 1.75
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 5.4
    1-hexene 0.28
    2-isopropoxyethanol 2.29
    2,2,2-trifluoroethanol 2.65
    methyl butyrate 1.3

    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