4-Aminosalicylic acid

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  • Identifiers

    CAS number
    65-49-6

    Molecular formula
    C7H7NO3

    SMILES
    C1=CC(=C(C=C1N)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.63%
    Phenolic 44.9%
    Bitter 27.59%
    Animal 26.22%
    Burnt 24.79%
    Grape 22.85%
    Nutty 21.39%
    Fruity 21.34%
    Musty 20.73%
    Sweet 20.69%

     

    Flavor
    Phenolic 57.57%
    Mild 52.03%
    Odorless 51.79%
    Nutty 44.34%
    Sour 30.87%
    Faint 29.47%
    Bitter 26.48%
    Musty 25.21%
    Urine 24.02%
    Very mild 23.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.25 (neutral)

    Molecular weight
    153.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    370°C

    Melting point expt.

    • 150.5 dec °C
    • 150-151 °C, with effervescence
    • NEEDLES FROM ALC; MP: 115 °C /ETHYL ESTER/
    • 150.5 °C

    Flash point

    • 211.78 ˚C est.

    Solubility expt.

    • >23 [ug/mL] (The mean of the results at pH 7.4)
    • 1690 mg/L (at 23 °C)
    • 1 G SOL IN ABOUT 7 ML WATER; SLIGHTLY SOL IN ALC /CALCIUM SALT/
    • PH OF 1% SOLN: ABOUT 7; FREELY SOL IN WATER /POTASSIUM SALT/
    • For more Solubility (Complete) data for P-AMINOSALICYLIC ACID (7 total), please visit the HSDB record page.
    • SOL IN DILUTE NITRIC ACID & DILUTE SODIUM HYDROXIDE
    • Virtually insoluble in benzene, choroform, or carbon tetrachloride
    • 1 G SOL IN ABOUT 500 ML WATER, IN 21 ML ALC; SLIGHTLY SOL IN ETHER; PRACTICALLY INSOL IN BENZENE
    • In water= 1.69X10+3 mg/l at 23 °C
    • Soluble in acetone
    • 1.18e+01 g/L

  • Synonyms

    • 4-Aminosalicylic acid
    • 65-49-6
    • 4-Amino-2-hydroxybenzoic acid
    • Aminosalicylic acid
    • P-AMINOSALICYLIC ACID
    • Rezipas
    • Paramycin
    • Pamisyl
    • Parasal
    • Paser
    • Para-aminosalicylic acid
    • Parasalindon
    • Aminopar
    • Deapasil
    • Apacil
    • Benzoic acid, 4-amino-2-hydroxy-
    • Gabbropas
    • Parasalicil
    • Pasnodia
    • Aminox
    • Entepas
    • Osacyl
    • Pamacyl
    • Pasalon
    • Pasara
    • Pasdium
    • Pasmed
    • Pasolac
    • Propasa
    • Pasem
    • Pasa
    • 2-Hydroxy-4-aminobenzoic acid
    • APAS
    • PASK
    • Para-Pas
    • Sanipirol-4
    • para-Amino salicylic acid
    • Hellipidyl
    • Pascorbic
    • PAS-C
    • PAS (acid)
    • PAS
    • Kyselina p-aminosalicylova
    • aminosalicylate
    • Salicylic acid, 4-amino-
    • 3-Hydroxy-4-carboxyaniline
    • Amino-pas
    • Sanipriol-4
    • 4-Aminosalicylate
    • MFCD00007789
    • NIH 2939
    • NSC 2083
    • 4-Asa
    • AMINOSALICYLATE SODIUM
    • Aminosalicylic Acid [USP]
    • A 1909
    • 4-amino-2-hydroxy-benzoic acid
    • p-amino salicylic acid
    • NSC-2083
    • MLS000069418
    • CHEBI:27565
    • NSC2083
    • 5B2658E0N2
    • Aminosalyl
    • Helipidyl
    • SMR000059110
    • Paser Granules
    • Aminosalicylic acid (USP)
    • MLS000069579
    • PAS (VAN)
    • 4-Aminosalicylicacid
    • Benzoic acid, 4-aminohydroxy-
    • HSDB 3203
    • 4-amino salicylic acid
    • Kyselina p-aminosalicylova [Czech]
    • SR-01000002990
    • SMR000058830
    • EINECS 200-613-5
    • BRN 0473071
    • P.A.S
    • Aminosalicylic
    • Granupas
    • AI3-50142
    • UNII-5B2658E0N2
    • ISONICOTINIC ACID HYDRAZIDE P-AMINOSALICYLATE SALT
    • Pamisyl (TN)
    • Paser (TN)
    • 4-Aminosalicyclic acid
    • Spectrum_000042
    • .gamma.-Aminosalicylate
    • Opera_ID_614
    • Spectrum2_000001
    • Spectrum3_000297
    • Spectrum4_000145
    • Spectrum5_000804
    • para-amino-salicyclic acid
    • WLN: ZR CQ DVQ
    • Salicyclic acid, 4-amino-
    • SCHEMBL2262
    • CHEMBL1169
    • BSPBio_001834
    • KBioGR_000590
    • KBioSS_000422
    • 4-14-00-01967 (Beilstein Handbook Reference)
    • MLS001148121
    • 4-Aminosalicylic acid, 99%
    • BIDD:GT0175
    • DivK1c_000350
    • 4-amino-2-hydroxobenzoic acid
    • SPBio_000001
    • p-Aminosalicylic acid STANDARD
    • DTXSID2022591
    • BDBM48319
    • HMS501B12
    • HY-I0447R
    • KBio1_000350
    • KBio2_000422
    • KBio2_002990
    • KBio2_005558
    • KBio3_001334
    • 4-Aminobenzoic acid, 2-hydroxy-
    • 4-Aminosalicylic acid (Standard)
    • 4-azanyl-2-oxidanyl-benzoic acid
    • cid_11988145
    • NINDS_000350
    • AMINOSALICYLIC ACID [HSDB]
    • HMS2090I07
    • HMS2093L14

  • Applications

    4-Aminosalicylic acid (CAS 65-49-6) is used as a chemical intermediate and starting material in the synthesis of related organic compounds in the pharmaceutical field, particularly for building amino benzoic derivatives and related scaffolds. It is also employed as a building block for azo dye precursors, supporting the production of pigments used in coatings and inks. In research and analytical chemistry, it is commonly used as a reference material or substrate in synthetic and analytical investigations. Additionally, because of its amino and carboxyl groups, it serves as a precursor in the development of aromatic heterocycles and other advanced organic materials for pharmaceutical research. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.44
    methanol 15.09
    isopropanol 4.86
    water 1.47
    ethyl acetate 3.5
    n-propanol 5.18
    acetone 10.62
    n-butanol 4.15
    acetonitrile 4.69
    DMF 53.71
    toluene 0.07
    isobutanol 2.84
    1,4-dioxane 21.06
    methyl acetate 4.43
    THF 44.24
    2-butanone 4.8
    n-pentanol 3.5
    sec-butanol 2.43
    n-hexane 0.04
    ethylene glycol 21.2
    NMP 74.67
    cyclohexane 0.02
    DMSO 94.63
    n-butyl acetate 3.72
    n-octanol 5.1
    chloroform 0.02
    n-propyl acetate 3.3
    acetic acid 30.44
    dichloromethane 0.08
    cyclohexanone 5.19
    propylene glycol 20.58
    isopropyl acetate 2.85
    DMAc 42.33
    2-ethoxyethanol 34.53
    isopentanol 3.62
    n-heptane 0.16
    ethyl formate 6.33
    1,2-dichloroethane 0.21
    n-hexanol 4.58
    2-methoxyethanol 79.08
    isobutyl acetate 1.55
    tetrachloromethane 0.02
    n-pentyl acetate 4.21
    transcutol 76.99
    n-heptanol 4.9
    ethylbenzene 0.1
    MIBK 3.61
    2-propoxyethanol 39.72
    tert-butanol 6.42
    MTBE 1.43
    2-butoxyethanol 24.2
    propionic acid 10.81
    o-xylene 0.16
    formic acid 39.99
    diethyl ether 1.43
    m-xylene 0.17
    p-xylene 0.15
    chlorobenzene 0.1
    dimethyl carbonate 6.36
    n-octane 0.07
    formamide 47.81
    cyclopentanone 19.44
    2-pentanone 4.66
    anisole 1.11
    cyclopentyl methyl ether 4.2
    gamma-butyrolactone 45.75
    1-methoxy-2-propanol 52.97
    pyridine 1.38
    3-pentanone 2.01
    furfural 23.88
    n-dodecane 0.1
    diethylene glycol 53.8
    diisopropyl ether 0.55
    tert-amyl alcohol 3.59
    acetylacetone 11.82
    n-hexadecane 0.11
    acetophenone 2.24
    methyl propionate 5.55
    isopentyl acetate 3.4
    trichloroethylene 0.22
    n-nonanol 4.94
    cyclohexanol 1.55
    benzyl alcohol 1.95
    2-ethylhexanol 2.4
    isooctanol 3.75
    dipropyl ether 2.67
    1,2-dichlorobenzene 0.18
    ethyl lactate 8.99
    propylene carbonate 15.0
    n-methylformamide 32.21
    2-pentanol 2.01
    n-pentane 0.04
    1-propoxy-2-propanol 23.02
    1-methoxy-2-propyl acetate 12.94
    2-(2-methoxypropoxy) propanol 25.04
    mesitylene 0.21
    ε-caprolactone 10.48
    p-cymene 0.4
    epichlorohydrin 16.97
    1,1,1-trichloroethane 0.09
    2-aminoethanol 27.19
    morpholine-4-carbaldehyde 71.63
    sulfolane 67.19
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 9.07
    n-hexyl acetate 7.41
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 40.96
    sec-butyl acetate 1.64
    tert-butyl acetate 4.97
    decalin 0.04
    glycerin 55.87
    diglyme 55.9
    acrylic acid 14.77
    isopropyl myristate 2.87
    n-butyric acid 10.71
    acetyl acetate 3.22
    di(2-ethylhexyl) phthalate 4.85
    ethyl propionate 3.06
    nitromethane 56.78
    1,2-diethoxyethane 7.25
    benzonitrile 1.21
    trioctyl phosphate 4.45
    1-bromopropane 0.1
    gamma-valerolactone 53.73
    n-decanol 3.71
    triethyl phosphate 3.25
    4-methyl-2-pentanol 1.81
    propionitrile 1.93
    vinylene carbonate 7.85
    1,1,2-trichlorotrifluoroethane 18.68
    DMS 5.09
    cumene 0.16
    2-octanol 2.63
    2-hexanone 3.23
    octyl acetate 4.85
    limonene 0.61
    1,2-dimethoxyethane 28.63
    ethyl orthosilicate 2.8
    tributyl phosphate 3.88
    diacetone alcohol 19.16
    N,N-dimethylaniline 1.19
    acrylonitrile 3.62
    aniline 0.6
    1,3-propanediol 31.04
    bromobenzene 0.05
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 3.73
    tetrabutyl urea 7.05
    diisobutyl methanol 1.84
    2-phenylethanol 3.0
    styrene 0.08
    dioctyl adipate 6.15
    dimethyl sulfate 16.45
    ethyl butyrate 3.78
    methyl lactate 19.73
    butyl lactate 9.99
    diethyl carbonate 2.63
    propanediol butyl ether 29.86
    triethyl orthoformate 3.81
    p-tert-butyltoluene 0.44
    methyl 4-tert-butylbenzoate 11.19
    morpholine 25.53
    tert-butylamine 1.53
    n-dodecanol 2.56
    dimethoxymethane 29.99
    ethylene carbonate 6.54
    cyrene 33.05
    2-ethoxyethyl acetate 10.14
    2-ethylhexyl acetate 2.13
    1,2,4-trichlorobenzene 0.31
    4-methylpyridine 1.33
    dibutyl ether 2.3
    2,6-dimethyl-4-heptanol 1.84
    DEF 9.69
    dimethyl isosorbide 39.84
    tetrachloroethylene 0.15
    eugenol 13.6
    triacetin 11.93
    span 80 20.29
    1,4-butanediol 11.42
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 2.59
    methyl formate 24.29
    2-methyl-1-butanol 2.67
    n-decane 0.14
    butyronitrile 2.12
    3,7-dimethyl-1-octanol 3.41
    1-chlorooctane 0.61
    1-chlorotetradecane 0.33
    n-nonane 0.11
    undecane 0.12
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 4.96
    tetrahydropyran 2.77
    tert-amyl methyl ether 1.48
    2,5,8-trioxanonane 46.8
    1-hexene 0.16
    2-isopropoxyethanol 17.05
    2,2,2-trifluoroethanol 13.39
    methyl butyrate 4.08

    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