Isosorbide Mononitrate

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  • Identifiers

    CAS number
    16051-77-7

    Molecular formula
    C6H9NO6

    SMILES
    C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 77.74%
    Sweet 24.31%
    Clean 19.3%
    Alcoholic 18.34%
    Caramellic 15.62%
    Buttery 14.41%
    Milky 14.4%
    Ethereal 14.32%
    Savory 14.19%
    Cooling 14.16%

     

    Flavor
    Bitter 65.21%
    Odorless 39.34%
    Bland 29.38%
    Sweet-like 27.04%
    Very mild 23.29%
    Fatty 21.26%
    Alkaline 20.18%
    Cauliflower 19.97%
    Cedarleaf 19.64%
    Fenugreek 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.2 (neutral)

    Molecular weight
    191.14 g/mol

    Melting point expt.

    • 88 - 91 °C

    Flash point

    • 155.81 ˚C est.

    Solubility expt.

    • 5.70e+01 g/L

  • Synonyms

    • ISOSORBIDE MONONITRATE
    • 16051-77-7
    • Isosorbide 5-mononitrate
    • Imdur
    • Monosorbitrate
    • Corangin
    • Monoket
    • Isosorbide 5-nitrate
    • Isosorbide-5-mononitrate
    • Elantan
    • Mononit
    • ISMN
    • ISMO
    • Monosordil
    • Monolong
    • Monopront
    • Nitramin
    • Orasorbil
    • Promocard
    • Sigacora
    • Sorbimon
    • Turimonit
    • Vasdilat
    • Duride
    • Imtrate
    • Ismexin
    • Medocor
    • Monicor
    • Olicard
    • Pertil
    • Uniket
    • Ismox
    • Monodur Durules
    • Mono Corax
    • Monisid
    • Monocord
    • 1,4:3,6-Dianhydro-D-glucitol 5-nitrate
    • Mononitrate d'isosorbide
    • Monocedocard
    • Monosorb
    • Mononitrato de isosorbida
    • Isosorbidi mononitras
    • isosorbide-5-nitrate
    • IS 5-MN
    • Iso-5-mononitrate
    • Isosorbidi mononitras [Latin]
    • Monomax
    • Mononitrate d'isosorbide [French]
    • IS-5-MN
    • AHR-4698
    • Mononitrato de isosorbida [Spanish]
    • IS-5MN
    • Monosorb XL 60
    • D-Glucitol, 1,4:3,6-dianhydro-, 5-nitrate
    • BM 22.145
    • BM-22-145
    • Diluted isosorbide mononitrate
    • NSC-758619
    • CHEBI:6062
    • Monizid
    • DTXSID9023176
    • 1,4:3,6-dianhydro-5-O-nitro-D-glucitol
    • LX1OH63030
    • vasotrate
    • Epicordin
    • Monoclair
    • Monotrate
    • Olicardin
    • Percorina
    • Edistol
    • Etimonis
    • Isomonat
    • Isomonit
    • Multitab
    • Titarane
    • Conpin
    • Imazin
    • Imodur
    • Isomon
    • Iturol
    • Monis
    • Nitex
    • Plodin
    • IHD
    • MonoSigma
    • Elantan Retard
    • Mono-Sanorania
    • Monoket Retard
    • Elantan Long
    • Imdur Durules
    • (3R,3aS,6S,6aR)-6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl nitrate
    • Corangin SR
    • Mono Mack
    • Mono-Mack
    • BM-22145
    • Conpin Retardkaps
    • Fem-Mono
    • ISMN Lannacher
    • Monoket OD
    • ISMN Apogepha
    • ISMN Heumann
    • ISMN Basics
    • Pentacard 20
    • [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
    • BM-22.145
    • Mono Corax Retard
    • DTXCID003176
    • ISMN Hexal
    • ISMN Stada
    • Monocord 20
    • Monocord 40
    • Monolong 40
    • Monolong 60
    • BM 22.145IS 5-MNAHR-4698
    • ISMN Atid
    • Mononit 20
    • Mononit 40
    • Isopen-20
    • Monocord 50 SR
    • Mononit Retard 50
    • 5-Ismn
    • Imdur 60
    • ISMN AbZ
    • Monit 20
    • ISMN AL
    • Ismo-20
    • MFCD00143462
    • monocinque

  • Applications

    Isosorbide mononitrate is primarily used in pharmaceuticals as an active pharmaceutical ingredient in nitrate-based cardiovascular formulations. It also serves as an intermediate in organic synthesis, enabling the preparation of nitrate ester–containing compounds from the isosorbide scaffold. In research and development, it is explored as a building block for isosorbide-derived polymers and biobased materials, where the rigid bicyclic diol framework can be leveraged. Additionally, the nitrate functionality makes it of interest as a precursor in nitration chemistry for generating derivative compounds under controlled conditions, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.48
    methanol 291.24
    isopropanol 34.13
    water 258.6
    ethyl acetate 55.34
    n-propanol 36.61
    acetone 191.24
    n-butanol 23.43
    acetonitrile 89.28
    DMF 708.49
    toluene 4.44
    isobutanol 18.06
    1,4-dioxane 85.3
    methyl acetate 70.95
    THF 119.72
    2-butanone 63.3
    n-pentanol 13.97
    sec-butanol 20.41
    n-hexane 0.52
    ethylene glycol 213.46
    NMP 589.07
    cyclohexane 1.34
    DMSO 1419.07
    n-butyl acetate 29.85
    n-octanol 11.5
    chloroform 16.86
    n-propyl acetate 27.9
    acetic acid 416.65
    dichloromethane 48.12
    cyclohexanone 71.61
    propylene glycol 80.54
    isopropyl acetate 30.14
    DMAc 418.0
    2-ethoxyethanol 165.22
    isopentanol 19.88
    n-heptane 1.35
    ethyl formate 87.13
    1,2-dichloroethane 42.53
    n-hexanol 14.98
    2-methoxyethanol 367.48
    isobutyl acetate 8.07
    tetrachloromethane 4.95
    n-pentyl acetate 15.49
    transcutol 378.64
    n-heptanol 9.76
    ethylbenzene 3.66
    MIBK 28.27
    2-propoxyethanol 91.88
    tert-butanol 35.32
    MTBE 14.09
    2-butoxyethanol 47.01
    propionic acid 98.19
    o-xylene 6.27
    formic acid 1125.72
    diethyl ether 20.23
    m-xylene 5.06
    p-xylene 3.8
    chlorobenzene 8.53
    dimethyl carbonate 75.04
    n-octane 0.6
    formamide 1615.0
    cyclopentanone 135.24
    2-pentanone 49.09
    anisole 24.63
    cyclopentyl methyl ether 30.34
    gamma-butyrolactone 259.68
    1-methoxy-2-propanol 164.42
    pyridine 61.58
    3-pentanone 33.42
    furfural 324.57
    n-dodecane 0.51
    diethylene glycol 201.36
    diisopropyl ether 6.05
    tert-amyl alcohol 26.04
    acetylacetone 135.43
    n-hexadecane 0.56
    acetophenone 49.92
    methyl propionate 66.8
    isopentyl acetate 21.73
    trichloroethylene 61.07
    n-nonanol 10.51
    cyclohexanol 15.95
    benzyl alcohol 34.06
    2-ethylhexanol 9.81
    isooctanol 7.37
    dipropyl ether 13.05
    1,2-dichlorobenzene 12.43
    ethyl lactate 46.58
    propylene carbonate 119.22
    n-methylformamide 491.91
    2-pentanol 12.87
    n-pentane 0.86
    1-propoxy-2-propanol 50.2
    1-methoxy-2-propyl acetate 61.54
    2-(2-methoxypropoxy) propanol 74.85
    mesitylene 3.97
    ε-caprolactone 85.76
    p-cymene 6.18
    epichlorohydrin 172.07
    1,1,1-trichloroethane 12.25
    2-aminoethanol 141.83
    morpholine-4-carbaldehyde 461.37
    sulfolane 468.57
    2,2,4-trimethylpentane 0.58
    2-methyltetrahydrofuran 48.66
    n-hexyl acetate 22.83
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 91.56
    sec-butyl acetate 14.11
    tert-butyl acetate 33.42
    decalin 0.73
    glycerin 238.21
    diglyme 230.54
    acrylic acid 172.99
    isopropyl myristate 8.8
    n-butyric acid 69.98
    acetyl acetate 61.64
    di(2-ethylhexyl) phthalate 16.0
    ethyl propionate 28.91
    nitromethane 811.9
    1,2-diethoxyethane 37.53
    benzonitrile 26.55
    trioctyl phosphate 10.92
    1-bromopropane 7.88
    gamma-valerolactone 285.52
    n-decanol 7.69
    triethyl phosphate 23.54
    4-methyl-2-pentanol 8.96
    propionitrile 27.79
    vinylene carbonate 116.17
    1,1,2-trichlorotrifluoroethane 239.33
    DMS 47.11
    cumene 3.27
    2-octanol 5.48
    2-hexanone 19.61
    octyl acetate 13.38
    limonene 8.11
    1,2-dimethoxyethane 163.09
    ethyl orthosilicate 16.59
    tributyl phosphate 15.59
    diacetone alcohol 84.95
    N,N-dimethylaniline 19.73
    acrylonitrile 74.74
    aniline 19.3
    1,3-propanediol 132.69
    bromobenzene 6.22
    dibromomethane 19.05
    1,1,2,2-tetrachloroethane 37.94
    2-methyl-cyclohexyl acetate 21.4
    tetrabutyl urea 28.1
    diisobutyl methanol 7.01
    2-phenylethanol 28.73
    styrene 4.59
    dioctyl adipate 21.21
    dimethyl sulfate 218.36
    ethyl butyrate 31.07
    methyl lactate 107.7
    butyl lactate 26.48
    diethyl carbonate 27.21
    propanediol butyl ether 62.5
    triethyl orthoformate 21.72
    p-tert-butyltoluene 5.36
    methyl 4-tert-butylbenzoate 42.53
    morpholine 120.24
    tert-butylamine 11.73
    n-dodecanol 5.71
    dimethoxymethane 200.55
    ethylene carbonate 74.94
    cyrene 112.24
    2-ethoxyethyl acetate 40.11
    2-ethylhexyl acetate 15.38
    1,2,4-trichlorobenzene 16.99
    4-methylpyridine 41.95
    dibutyl ether 9.52
    2,6-dimethyl-4-heptanol 7.01
    DEF 121.92
    dimethyl isosorbide 132.78
    tetrachloroethylene 33.2
    eugenol 46.42
    triacetin 56.74
    span 80 41.78
    1,4-butanediol 61.15
    1,1-dichloroethane 13.19
    2-methyl-1-pentanol 11.2
    methyl formate 374.54
    2-methyl-1-butanol 17.21
    n-decane 0.83
    butyronitrile 21.66
    3,7-dimethyl-1-octanol 11.67
    1-chlorooctane 3.73
    1-chlorotetradecane 1.61
    n-nonane 0.76
    undecane 0.64
    tert-butylcyclohexane 0.51
    cyclooctane 0.72
    cyclopentanol 28.03
    tetrahydropyran 25.22
    tert-amyl methyl ether 14.72
    2,5,8-trioxanonane 159.55
    1-hexene 1.55
    2-isopropoxyethanol 64.23
    2,2,2-trifluoroethanol 318.28
    methyl butyrate 44.82

    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