Isosorbide Dinitrate

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  • Identifiers

    CAS number
    87-33-2

    Molecular formula
    C6H8N2O8

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 76.47%
    Sweet 20.36%
    Clean 20.16%
    Alcoholic 18.52%
    Ethereal 16.3%
    Buttery 14.31%
    Winey 13.24%
    Savory 13.04%
    Milky 13.01%
    Caramellic 12.83%

     

    Flavor
    Bitter 64.92%
    Odorless 45.06%
    Bland 32.34%
    Very mild 27.29%
    Sweet-like 24.43%
    Yeast 19.54%
    Nitrile 18.91%
    Cedarleaf 18.82%
    Alkaline 18.61%
    Rotten 18.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.21 (neutral)

    Molecular weight
    236.14 g/mol

    Melting point expt.

    • 70 °C

    Flash point

    • 155.08 ˚C est.

    Solubility expt.

    • 550 mg/L (at 25 °C)
    • Freely sol in acetone, alcohol ether
    • Freely soluble in chloroform.
    • In water, 550 mg/l @ 25 °C
    • 9.38e-01 g/L

  • Synonyms

    • ISOSORBIDE DINITRATE
    • 87-33-2
    • Sorbidnitrate
    • Isordil
    • Sorbide nitrate
    • Dinitrosorbide
    • Sorbitrate
    • Dilatrate-SR
    • Nitrosorbide
    • Carvasin
    • Sorbidilat
    • Vascardin
    • Flindix
    • Isoket
    • Isorbid
    • ISDN
    • Claodical
    • Corosorbide
    • Nitrosorbid
    • Nitrosorbon
    • Sorbangil
    • Vasodilat
    • Vasorbate
    • Carvanil
    • Cedocard
    • Cornilat
    • Coronex
    • Difutrat
    • Harrical
    • Isotrate
    • Korodil
    • Lomilan
    • Myorexon
    • Resoidan
    • Rigedal
    • Sorbislo
    • Sorbonit
    • Sorquad
    • Tinidil
    • Cardis
    • Emoper
    • Maycor
    • Nosim
    • Xanyl
    • Sorbide, dinitrate
    • Isordil Tembids
    • Rifloc Retard
    • D-Isosorbide dinitrate
    • Dilatrate
    • Iso-Bid
    • Dinitroisosorbide
    • Cardio 10
    • Astridine
    • Isochron
    • Dianhydrosorbitol 2,5-dinitrate
    • Isosorbide 2,5-dinitrate
    • Dignionitrat
    • Sorbidinitrate
    • Angidil
    • Corovliss
    • Diniket
    • Disorlon
    • Isodinit
    • Langoran
    • Laserdil
    • Sorbide
    • Sorquat
    • Sorbidi nitras
    • EureCor
    • Dilatrate SR
    • Isosorbidi nitras
    • Iso-Puren
    • Dinitrate d'isosorbide
    • Iso-Mack
    • IBD 20
    • Dinitrato de isosorbida
    • Isosorbidi dinitras
    • Sorate-5
    • Isostat
    • Sorate-10
    • Sorbide T.D.
    • Cedocard Retard
    • D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
    • 1,4:3,6-Dianhydrosorbitol 2,5-dinitrate
    • Isomannide-dinitrate
    • SST-101
    • 1,4:3,6-Dianhydro-D-glucitol dinitrate
    • CCRIS 1910
    • HSDB 3417
    • Isosorbidi dinitras [INN-Latin]
    • EINECS 201-740-9
    • Dinitrate d'isosorbide [INN-French]
    • NSC 80038
    • NSC-80038
    • Dinitrato de isosorbida [INN-Spanish]
    • CHEBI:6061
    • UNII-IA7306519N
    • NSC80038
    • Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-
    • IA7306519N
    • Isomak R
    • [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
    • Cardonit 40
    • DTXSID0045832
    • Frandol
    • C01DA08
    • EC 201-740-9
    • 1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol
    • (3R,3aS,6S,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate
    • Isoket retard 40
    • ISD
    • Isoket Retard 120
    • BIDIL COMPONENT ISOSORBIDE DINITRATE
    • Isosorbide dinitrate [USAN:USP:INN:BAN:JAN]
    • Isosorbide dinitrato
    • Dinitrate, Isosorbide
    • Isosorbide dinitrato [DCIT]
    • DTXCID8025832
    • 1246815-45-1
    • Isosorbidi dinitras (INN-Latin)
    • Dinitrate d'isosorbide (INN-French)
    • ISOSORBIDE DINITRATE (MART.)
    • ISOSORBIDE DINITRATE [MART.]
    • Dinitrato de isosorbida (INN-Spanish)
    • TYB 3215
    • Diluted isosorbide dinitrate
    • SDM No. 40
    • SDM No. 50

  • Applications

    Isosorbide dinitrate (CAS 87-33-2) is principally used as an active pharmaceutical ingredient (API) in cardiovascular formulations, where it functions as a nitrate vasodilator delivered in sublingual tablets or transdermal patches; it also serves as a chemical intermediate or precursor in the synthesis of other nitrate esters, and is occasionally evaluated as a nitric oxide donor reagent in research and in materials applications involving nitrate functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.7
    methanol 69.57
    isopropanol 11.07
    water 26.56
    ethyl acetate 32.27
    n-propanol 10.54
    acetone 122.78
    n-butanol 9.38
    acetonitrile 82.13
    DMF 278.95
    toluene 2.66
    isobutanol 6.13
    1,4-dioxane 64.23
    methyl acetate 53.33
    THF 68.48
    2-butanone 48.18
    n-pentanol 9.13
    sec-butanol 7.37
    n-hexane 0.32
    ethylene glycol 38.19
    NMP 294.0
    cyclohexane 0.7
    DMSO 770.86
    n-butyl acetate 22.53
    n-octanol 11.0
    chloroform 13.2
    n-propyl acetate 23.45
    acetic acid 76.62
    dichloromethane 42.35
    cyclohexanone 54.14
    propylene glycol 12.18
    isopropyl acetate 17.34
    DMAc 263.13
    2-ethoxyethanol 85.68
    isopentanol 8.82
    n-heptane 1.0
    ethyl formate 40.14
    1,2-dichloroethane 36.85
    n-hexanol 8.97
    2-methoxyethanol 143.67
    isobutyl acetate 7.78
    tetrachloromethane 1.66
    n-pentyl acetate 15.46
    transcutol 180.49
    n-heptanol 6.95
    ethylbenzene 2.56
    MIBK 16.95
    2-propoxyethanol 57.58
    tert-butanol 14.31
    MTBE 7.76
    2-butoxyethanol 32.02
    propionic acid 26.81
    o-xylene 4.06
    formic acid 164.88
    diethyl ether 14.42
    m-xylene 2.85
    p-xylene 3.74
    chlorobenzene 5.83
    dimethyl carbonate 37.69
    n-octane 0.72
    formamide 314.32
    cyclopentanone 82.91
    2-pentanone 31.09
    anisole 13.99
    cyclopentyl methyl ether 15.33
    gamma-butyrolactone 143.68
    1-methoxy-2-propanol 66.86
    pyridine 37.8
    3-pentanone 26.75
    furfural 148.44
    n-dodecane 0.84
    diethylene glycol 97.09
    diisopropyl ether 3.8
    tert-amyl alcohol 10.13
    acetylacetone 83.08
    n-hexadecane 0.96
    acetophenone 32.81
    methyl propionate 39.6
    isopentyl acetate 16.33
    trichloroethylene 46.39
    n-nonanol 10.69
    cyclohexanol 8.2
    benzyl alcohol 17.84
    2-ethylhexanol 6.82
    isooctanol 5.44
    dipropyl ether 10.5
    1,2-dichlorobenzene 9.12
    ethyl lactate 26.17
    propylene carbonate 53.57
    n-methylformamide 148.61
    2-pentanol 5.46
    n-pentane 0.37
    1-propoxy-2-propanol 31.25
    1-methoxy-2-propyl acetate 35.26
    2-(2-methoxypropoxy) propanol 53.57
    mesitylene 2.45
    ε-caprolactone 58.13
    p-cymene 4.51
    epichlorohydrin 108.78
    1,1,1-trichloroethane 8.78
    2-aminoethanol 27.91
    morpholine-4-carbaldehyde 240.95
    sulfolane 240.86
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 28.82
    n-hexyl acetate 21.38
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 61.19
    sec-butyl acetate 10.6
    tert-butyl acetate 19.0
    decalin 0.48
    glycerin 49.3
    diglyme 137.99
    acrylic acid 44.82
    isopropyl myristate 10.54
    n-butyric acid 21.32
    acetyl acetate 31.0
    di(2-ethylhexyl) phthalate 14.86
    ethyl propionate 23.1
    nitromethane 320.56
    1,2-diethoxyethane 34.73
    benzonitrile 23.63
    trioctyl phosphate 11.04
    1-bromopropane 5.95
    gamma-valerolactone 171.06
    n-decanol 8.61
    triethyl phosphate 17.39
    4-methyl-2-pentanol 4.18
    propionitrile 23.85
    vinylene carbonate 53.13
    1,1,2-trichlorotrifluoroethane 98.75
    DMS 34.53
    cumene 2.4
    2-octanol 5.17
    2-hexanone 21.45
    octyl acetate 15.05
    limonene 5.89
    1,2-dimethoxyethane 113.8
    ethyl orthosilicate 13.04
    tributyl phosphate 14.44
    diacetone alcohol 40.76
    N,N-dimethylaniline 12.06
    acrylonitrile 53.43
    aniline 8.92
    1,3-propanediol 37.66
    bromobenzene 4.79
    dibromomethane 16.14
    1,1,2,2-tetrachloroethane 30.56
    2-methyl-cyclohexyl acetate 18.02
    tetrabutyl urea 27.86
    diisobutyl methanol 4.88
    2-phenylethanol 18.73
    styrene 3.03
    dioctyl adipate 21.94
    dimethyl sulfate 116.56
    ethyl butyrate 21.96
    methyl lactate 45.32
    butyl lactate 18.92
    diethyl carbonate 18.79
    propanediol butyl ether 33.01
    triethyl orthoformate 16.38
    p-tert-butyltoluene 3.8
    methyl 4-tert-butylbenzoate 30.41
    morpholine 66.55
    tert-butylamine 4.99
    n-dodecanol 6.69
    dimethoxymethane 108.05
    ethylene carbonate 41.06
    cyrene 71.23
    2-ethoxyethyl acetate 33.24
    2-ethylhexyl acetate 13.13
    1,2,4-trichlorobenzene 12.57
    4-methylpyridine 29.23
    dibutyl ether 10.7
    2,6-dimethyl-4-heptanol 4.88
    DEF 67.94
    dimethyl isosorbide 88.19
    tetrachloroethylene 18.43
    eugenol 36.92
    triacetin 44.54
    span 80 30.27
    1,4-butanediol 21.03
    1,1-dichloroethane 11.09
    2-methyl-1-pentanol 7.48
    methyl formate 131.29
    2-methyl-1-butanol 6.76
    n-decane 1.24
    butyronitrile 17.71
    3,7-dimethyl-1-octanol 9.05
    1-chlorooctane 4.75
    1-chlorotetradecane 2.61
    n-nonane 1.06
    undecane 1.02
    tert-butylcyclohexane 0.34
    cyclooctane 0.44
    cyclopentanol 11.2
    tetrahydropyran 16.92
    tert-amyl methyl ether 8.33
    2,5,8-trioxanonane 116.43
    1-hexene 1.32
    2-isopropoxyethanol 42.95
    2,2,2-trifluoroethanol 81.09
    methyl butyrate 32.08

    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