Mesalamine

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  • Identifiers

    CAS number
    89-57-6

    Molecular formula
    C7H7NO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Odorless 59.55%
    Phenolic 46.77%
    Bitter 32.04%
    Burnt 26.49%
    Sweet 25.17%
    Animal 24.01%
    Vanilla 22.25%
    Balsamic 22.04%
    Fruity 21.66%
    Grape 20.96%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    153.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Melting point expt.

    • 536 °F (decomposes) (NTP, 1992)
    • 260-280 °C
    • 283 °C

    Flash point est.
    189.24 ˚C

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • 0.84 g/L at 20°C
    • Slightly soluble in water, alcohol; more soluble in hot water; soluble in hydrochloric acid
    • Insoluble in ethanol
    • 1.22e+01 g/L

  • Synonyms

    • 5-Aminosalicylic acid
    • mesalamine
    • Mesalazine
    • 89-57-6
    • 5-Amino-2-hydroxybenzoic acid
    • Pentasa
    • Asacol
    • Canasa
    • 5-ASA
    • Claversal
    • Rowasa
    • m-Aminosalicylic acid
    • Salofalk
    • Lialda
    • Fisalamine
    • Apriso
    • Mesasal
    • Benzoic acid, 5-amino-2-hydroxy-
    • Mesalazina
    • sfRowasa
    • Asacolitin
    • Mesalazinum
    • Lixacol
    • Iialda
    • p-Aminosalicylsaeure
    • Asacol HD
    • Pentacol
    • 5-amino-2-hydroxy-benzoic acid
    • Mesalamine [USAN]
    • Mesalazinum [Latin]
    • Delzicol
    • 3-carboxy-4-hydroxyaniline
    • 5-Amino Salicylic Acid
    • 2-Hydroxy-5-aminobenzoic acid
    • MAX-002
    • SALICYLIC ACID, 5-AMINO-
    • MFCD00007877
    • NSC 38877
    • NSC-38877
    • CCRIS 7334
    • EINECS 201-919-1
    • UNII-4Q81I59GXC
    • Mesalazine [INN]
    • BRN 2090421
    • 4Q81I59GXC
    • CHEBI:6775
    • DTXSID5024506
    • AI3-15564
    • HSDB 7512
    • SPD 476
    • Mesalamine [USAN:USP]
    • 5-?Aminosalicylic Acid (Mesalazine)
    • MLS001424012
    • DTXCID804506
    • EC 201-919-1
    • 4-14-00-02058 (Beilstein Handbook Reference)
    • NSC38877
    • mesalamine (USAN)
    • Mesalazinum (Latin)
    • 51481-17-5
    • CAS-89-57-6
    • NCGC00016344-03
    • SMR000145728
    • Mesalamine (USAN:USP)
    • MESALAZINE (MART.)
    • MESALAZINE [MART.]
    • MESALAMINE (USP-RS)
    • MESALAMINE [USP-RS]
    • 5-amino-2-hydroxybenzoic acid,5-Aminosalicylic acid
    • m Aminosalicylic Acid
    • Mesalazina [Spanish]
    • MESALAZINE (EP IMPURITY)
    • MESALAZINE [EP IMPURITY]
    • 5 Aminosalicylic Acid
    • p-Aminosalicylsaeure [German]
    • MESALAZINE (EP MONOGRAPH)
    • MESALAZINE [EP MONOGRAPH]
    • Mesavancol
    • MESALAMINE (USP MONOGRAPH)
    • MESALAMINE [USP MONOGRAPH]
    • Mesavance
    • Mezavant
    • meta Aminosalicylic Acid
    • meta-Aminosalicylic Acid
    • Mesalazine MMX
    • Mezavant XL
    • Mesalamine (USP)
    • Pentasa (TN)
    • Salofalk Granu-Stix
    • Apriso (TN)
    • Asacol (TN)
    • Canasa (TN)
    • Lialda (TN)
    • Rowasa (TN)
    • 5-AS
    • 5-Amino 2-hydroxy benzoic acid
    • SR-01000763486
    • 5-amino-2-hydroxybenzoicacid
    • Mesalamine Rectal
    • AJG-501
    • SPD-476
    • SPD-480
    • Mesalamine (TN)
    • Delzicol (TN)
    • Sfrowasa (TN)
    • Mesalamine (Lialda)
    • ZALDYON
    • 5-aminosalicylic_acid
    • MD-0901
    • 5-Aminosalicyclic acid
    • 5-amino-salicylic acid
    • MESALAMINE [MI]
    • MESALAZINE [JAN]
    • Prestwick0_001069
    • Prestwick1_001069
    • Prestwick2_001069
    • Prestwick3_001069
    • MESALAMINE [HSDB]
    • WLN: ZR DQ CVQ
    • Z-206
    • MESALAMINE [VANDF]
    • CHEMBL704
    • Mesalazine (JP17/INN)
    • cid_4075
    • MESALAZINE [WHO-DD]
    • Oprea1_847633
    • SCHEMBL31297
    • 3amino-6-hydroxybenzoic acid

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.48
    methanol 3.95
    isopropanol 0.15
    water 0.82
    ethyl acetate 1.59
    n-propanol 0.17
    acetone 5.45
    n-butanol 0.43
    acetonitrile 0.93
    DMF 46.41
    toluene 0.15
    isobutanol 0.26
    1,4-dioxane 0.37
    methyl acetate 1.72
    THF 902.75
    2-butanone 2.57
    n-pentanol 1.02
    sec-butanol 0.23
    n-hexane 0.07
    ethylene glycol 4.22
    NMP 39.48
    cyclohexane 0.01
    DMSO 158.39
    n-butyl acetate 4.38
    n-octanol 2.31
    chloroform 0.4
    n-propyl acetate 2.68
    acetic acid 1.83
    dichloromethane 0.37
    cyclohexanone 4.23
    propylene glycol 1.17
    isopropyl acetate 1.84
    DMAc 58.59
    2-ethoxyethanol 9.65
    isopentanol 1.54
    n-heptane 0.18
    ethyl formate 4.12
    1,2-dichloroethane 0.56
    n-hexanol 5.29
    2-methoxyethanol 14.34
    isobutyl acetate 1.33
    tetrachloromethane 1.25
    n-pentyl acetate 2.26
    transcutol 2.44
    n-heptanol 5.23
    ethylbenzene 0.4
    MIBK 6.25
    2-propoxyethanol 23.93
    tert-butanol 2.83
    MTBE 0.98
    2-butoxyethanol 12.74
    propionic acid 1.07
    o-xylene 0.35
    formic acid 8.93
    diethyl ether 0.21
    m-xylene 0.56
    p-xylene 0.54
    chlorobenzene 0.24
    dimethyl carbonate 5.24
    n-octane 0.08
    formamide 12.06
    cyclopentanone 68.71
    2-pentanone 4.0
    anisole 2.84
    cyclopentyl methyl ether 7.6
    gamma-butyrolactone 55.66
    1-methoxy-2-propanol 10.23
    pyridine 0.88
    3-pentanone 1.43
    furfural 20.34
    n-dodecane 0.09
    diethylene glycol 24.31
    diisopropyl ether 0.35
    tert-amyl alcohol 2.72
    acetylacetone 11.29
    n-hexadecane 0.1
    acetophenone 4.65
    methyl propionate 2.91
    isopentyl acetate 4.8
    trichloroethylene 1.38
    n-nonanol 2.49
    cyclohexanol 0.41
    benzyl alcohol 2.42
    2-ethylhexanol 3.9
    isooctanol 4.46
    dipropyl ether 2.21
    1,2-dichlorobenzene 0.75
    ethyl lactate 5.13
    propylene carbonate 9.94
    n-methylformamide 13.63
    2-pentanol 0.35
    n-pentane 0.02
    1-propoxy-2-propanol 11.59
    1-methoxy-2-propyl acetate 8.4
    2-(2-methoxypropoxy) propanol 9.02
    mesitylene 0.62
    ε-caprolactone 4.33
    p-cymene 1.15
    epichlorohydrin 34.8
    1,1,1-trichloroethane 1.04
    2-aminoethanol 3.39
    morpholine-4-carbaldehyde 17.98
    sulfolane 83.5
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 13.64
    n-hexyl acetate 2.67
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 7.27
    sec-butyl acetate 1.51
    tert-butyl acetate 5.61
    decalin 0.09
    glycerin 9.27
    diglyme 15.92
    acrylic acid 1.73
    isopropyl myristate 1.75
    n-butyric acid 2.4
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 2.92
    ethyl propionate 3.6
    nitromethane 12.34
    1,2-diethoxyethane 0.94
    benzonitrile 1.76
    trioctyl phosphate 3.35
    1-bromopropane 0.18
    gamma-valerolactone 22.61
    n-decanol 1.99
    triethyl phosphate 4.15
    4-methyl-2-pentanol 1.5
    propionitrile 0.81
    vinylene carbonate 4.79
    1,1,2-trichlorotrifluoroethane 18.16
    DMS 1.97
    cumene 0.7
    2-octanol 2.09
    2-hexanone 4.93
    octyl acetate 2.67
    limonene 1.11
    1,2-dimethoxyethane 21.54
    ethyl orthosilicate 3.45
    tributyl phosphate 2.47
    diacetone alcohol 17.09
    N,N-dimethylaniline 3.85
    acrylonitrile 2.03
    aniline 0.43
    1,3-propanediol 3.65
    bromobenzene 0.21
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 1.65
    2-methyl-cyclohexyl acetate 4.27
    tetrabutyl urea 5.03
    diisobutyl methanol 2.57
    2-phenylethanol 5.47
    styrene 0.27
    dioctyl adipate 2.55
    dimethyl sulfate 22.23
    ethyl butyrate 4.48
    methyl lactate 7.5
    butyl lactate 3.29
    diethyl carbonate 2.95
    propanediol butyl ether 4.36
    triethyl orthoformate 3.2
    p-tert-butyltoluene 1.24
    methyl 4-tert-butylbenzoate 9.37
    morpholine 1.12
    tert-butylamine 0.86
    n-dodecanol 1.46
    dimethoxymethane 21.09
    ethylene carbonate 3.64
    cyrene 16.83
    2-ethoxyethyl acetate 2.12
    2-ethylhexyl acetate 3.05
    1,2,4-trichlorobenzene 0.88
    4-methylpyridine 1.45
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 2.57
    DEF 6.11
    dimethyl isosorbide 23.0
    tetrachloroethylene 1.68
    eugenol 10.87
    triacetin 2.55
    span 80 5.42
    1,4-butanediol 2.9
    1,1-dichloroethane 0.25
    2-methyl-1-pentanol 2.24
    methyl formate 15.04
    2-methyl-1-butanol 0.81
    n-decane 0.11
    butyronitrile 1.31
    3,7-dimethyl-1-octanol 2.24
    1-chlorooctane 0.65
    1-chlorotetradecane 0.37
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.15
    cyclooctane 0.02
    cyclopentanol 2.38
    tetrahydropyran 0.37
    tert-amyl methyl ether 1.61
    2,5,8-trioxanonane 16.07
    1-hexene 0.24
    2-isopropoxyethanol 5.88
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 6.2

    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