Inosine

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  • Identifiers

    CAS number
    58-63-9

    Molecular formula
    C10H12N4O5

    SMILES
    C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 85.32%
    Bitter 20.37%
    Savory 18.19%
    Sweet 16.89%
    Burnt 16.43%
    Caramellic 15.11%
    Milky 14.66%
    Cooked 14.59%
    Popcorn 13.52%
    Nutty 12.83%

     

    Flavor
    Bitter 87.21%
    Odorless 37.73%
    Bland 27.53%
    Sweet-like 24.45%
    Cedarleaf 19.08%
    Very mild 18.97%
    Bread crust 18.64%
    Nitrile 18.34%
    Cereal 18.19%
    Alkaline 18.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    5.14 (weak acid)

    Molecular weight
    268.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2134°C

    Melting point expt.

    • 218 dec °C
    • 218 °C

    Flash point

    • 344.08 ˚C est.

    Solubility expt.

    • 15800 mg/L (at 20 °C)
    • 15.8 mg/mL
    • >40.2 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • inosine
    • 58-63-9
    • Hypoxanthosine
    • Ribonosine
    • Atorel
    • Oxiamin
    • Hypoxanthine riboside
    • Trophicardyl
    • Selfer
    • Hypoxanthine D-riboside
    • 9-beta-D-Ribofuranosylhypoxanthine
    • Hypoxanthine ribonucleoside
    • Hypoxanthine nucleoside
    • Inosina
    • Inosinum
    • Inotin
    • INO 495
    • DTXSID2045993
    • 5A614L51CT
    • NSC-20262
    • 9-beta-D-ribofuranosyl-9H-purin-6-ol
    • DTXCID0025993
    • CHEBI:17596
    • 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
    • 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
    • 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one
    • 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-1H-purin-6-one
    • 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6,9-dihydro-1H-purin-6-one
    • 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6,9-dihydro-3H-purin-6-one
    • RefChem:791048
    • D06BB05
    • G01AX02
    • S01XA10
    • 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-3H-purin-6-one
    • 200-390-4
    • Panholic-L
    • Pantholic-L
    • (-)-Inosine
    • Inosie
    • iso-prinosine
    • Inosine [INN:JAN]
    • Inosinum [INN-Latin]
    • Inosina [INN-Spanish]
    • hypoxanthine-ribose
    • INO
    • MFCD00066770
    • Hypoxanthine, 9-beta-D-ribofuranosyl-
    • Inosin
    • AI3-52241
    • HXR
    • Hypoxanthine-9-beta-D-ribofuranoside
    • NSC 20262
    • beta-D-Ribofuranoside, hypoxanthine-9
    • Hypoxanthine 9-beta-D-ribofuranoside
    • MLS000028518
    • 9.beta.-D-Ribofuranosylhypoxanthine
    • 1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one
    • 9-.beta.-D-Ribofuranosylhypoxanthine
    • CID 5274258
    • SMR000058316
    • 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
    • 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-purin-6(9H)-one
    • .beta.-Inosine
    • (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxypurin-9-yl)oxolane-3,4-diol
    • CAS-58-63-9
    • SR-01000721862
    • EINECS 200-390-4
    • Carnine
    • Catacol
    • Hypoxanthosine;
    • NSC20262
    • Trophicardyl;
    • UNII-5A614L51CT
    • Oxiamine;
    • 3h-inosine
    • D-Inosine
    • Inosie;
    • 2ada
    • 2fqw
    • .beta.-D-Ribofuranoside, hypoxanthine-9
    • NCGC00095787-01
    • Adenosine Imp. G (EP); Inosine; Didanosine Imp. B (Ph. Int.); 9-beta-D-Ribofuranosyl-1,9-dihydro-6H-purin-6-one; Adenosine Impurity G; Didanosine Impurity B
    • Hypoxanthine, 9-.beta.-D-ribofuranosyl-
    • Inotin (TN)
    • Hypoxanthine riboside;
    • Inosine (JAN/INN)
    • 1a4m
    • Inosine (8CI,9CI)
    • INOSINE [INN]
    • INOSINE [JAN]
    • INOSINE [MI]
    • INOSINE [MART.]
    • Opera_ID_1628
    • INOSINE [WHO-DD]
    • INOSINE [WHO-IP]
    • bmse000098
    • bmse000888
    • bmse000978
    • cid_6021
    • CHEMBL1556
    • SCHEMBL15804
    • KBioGR_002560
    • KBioSS_002569
    • INOSINE [USP IMPURITY]
    • GTPL4554
    • SCHEMBL1682742
    • SCHEMBL3365586
    • SCHEMBL6933022
    • 9-b-D-Ribofuranosylhypoxanthine
    • Hypoxanthine-9-D-ribofuranoside
    • Inosine, >=99% (HPLC)
    • SCHEMBL18653532
    • 9beta-D-Ribofuranosylhypoxanthine
    • BDBM22104
    • KBio2_002560
    • KBio2_005128
    • KBio2_007696
    • KBio3_003038
    • 9-|A-D-Ribofuranosylhypoxanthine
    • 9-b-D-ribofuranosyl-Hypoxanthine
    • MSK6812
    • 9-|_-D-Ribofuranosylhypoxanthine
    • cMAP_000084
    • HMS2235I17
    • Hypoxanthine-9-delta-ribofuranoside
    • 9-beta-D-Ribofuranosyl-1,9-dihydro-6H-purin-6-one (Inosine)
    • 9-beta-D-ribofuranosyl-Hypoxanthine
    • 58-63-9

  • Applications

    Inosine, CAS 58-63-9, is a purine nucleoside used primarily as a biochemical reagent and building block in pharmaceutical manufacturing. In molecular biology, it is employed in oligonucleotide synthesis and as a degenerate base in PCR primers to broaden base pairing at wobble positions. It also serves as a starting material or intermediate for the synthesis of nucleoside analogs and other pharmaceutical intermediates, and as a tool in enzymology and nucleotide metabolism research. In research settings, it may be used in assay development and as a substrate or cofactor for enzymatic assays.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.52
    methanol 3.75
    isopropanol 1.29
    water 8.44
    ethyl acetate 0.08
    n-propanol 1.95
    acetone 0.15
    n-butanol 1.72
    acetonitrile 0.42
    DMF 53.99
    toluene 0.03
    isobutanol 1.07
    1,4-dioxane 0.62
    methyl acetate 0.26
    THF 1.8
    2-butanone 0.65
    n-pentanol 0.84
    sec-butanol 1.6
    n-hexane 0.03
    ethylene glycol 16.41
    NMP 109.15
    cyclohexane 0.05
    DMSO 24.84
    n-butyl acetate 0.28
    n-octanol 0.35
    chloroform 0.05
    n-propyl acetate 0.18
    acetic acid 6.12
    dichloromethane 0.07
    cyclohexanone 1.95
    propylene glycol 19.66
    isopropyl acetate 0.07
    DMAc 49.78
    2-ethoxyethanol 7.44
    isopentanol 1.06
    n-heptane 0.09
    ethyl formate 0.49
    1,2-dichloroethane 0.08
    n-hexanol 0.8
    2-methoxyethanol 20.86
    isobutyl acetate 0.08
    tetrachloromethane 0.04
    n-pentyl acetate 0.25
    transcutol 5.57
    n-heptanol 0.72
    ethylbenzene 0.04
    MIBK 0.21
    2-propoxyethanol 5.47
    tert-butanol 0.81
    MTBE 0.11
    2-butoxyethanol 3.8
    propionic acid 3.0
    o-xylene 0.06
    formic acid 78.7
    diethyl ether 0.14
    m-xylene 0.04
    p-xylene 0.07
    chlorobenzene 0.03
    dimethyl carbonate 0.6
    n-octane 0.04
    formamide 66.49
    cyclopentanone 3.2
    2-pentanone 0.3
    anisole 0.11
    cyclopentyl methyl ether 0.57
    gamma-butyrolactone 4.9
    1-methoxy-2-propanol 10.27
    pyridine 0.98
    3-pentanone 0.35
    furfural 6.53
    n-dodecane 0.02
    diethylene glycol 14.69
    diisopropyl ether 0.04
    tert-amyl alcohol 1.1
    acetylacetone 0.21
    n-hexadecane 0.02
    acetophenone 0.41
    methyl propionate 0.46
    isopentyl acetate 0.29
    trichloroethylene 0.13
    n-nonanol 0.38
    cyclohexanol 1.49
    benzyl alcohol 0.64
    2-ethylhexanol 0.44
    isooctanol 0.48
    dipropyl ether 0.41
    1,2-dichlorobenzene 0.04
    ethyl lactate 1.76
    propylene carbonate 1.33
    n-methylformamide 20.27
    2-pentanol 0.8
    n-pentane 0.04
    1-propoxy-2-propanol 3.33
    1-methoxy-2-propyl acetate 0.62
    2-(2-methoxypropoxy) propanol 2.89
    mesitylene 0.03
    ε-caprolactone 2.42
    p-cymene 0.1
    epichlorohydrin 1.38
    1,1,1-trichloroethane 0.03
    2-aminoethanol 15.35
    morpholine-4-carbaldehyde 29.25
    sulfolane 23.34
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.93
    n-hexyl acetate 0.25
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.99
    sec-butyl acetate 0.09
    tert-butyl acetate 0.11
    decalin 0.02
    glycerin 65.91
    diglyme 5.73
    acrylic acid 6.22
    isopropyl myristate 0.13
    n-butyric acid 1.6
    acetyl acetate 0.05
    di(2-ethylhexyl) phthalate 0.36
    ethyl propionate 0.19
    nitromethane 5.16
    1,2-diethoxyethane 0.38
    benzonitrile 0.4
    trioctyl phosphate 0.37
    1-bromopropane 0.07
    gamma-valerolactone 10.62
    n-decanol 0.3
    triethyl phosphate 0.51
    4-methyl-2-pentanol 0.35
    propionitrile 0.55
    vinylene carbonate 1.11
    1,1,2-trichlorotrifluoroethane 10.77
    DMS 0.28
    cumene 0.04
    2-octanol 0.37
    2-hexanone 0.32
    octyl acetate 0.22
    limonene 0.17
    1,2-dimethoxyethane 3.15
    ethyl orthosilicate 0.43
    tributyl phosphate 0.34
    diacetone alcohol 1.56
    N,N-dimethylaniline 0.24
    acrylonitrile 1.21
    aniline 0.33
    1,3-propanediol 12.08
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.43
    tetrabutyl urea 0.99
    diisobutyl methanol 0.23
    2-phenylethanol 0.61
    styrene 0.03
    dioctyl adipate 0.29
    dimethyl sulfate 2.91
    ethyl butyrate 0.35
    methyl lactate 5.15
    butyl lactate 1.48
    diethyl carbonate 0.27
    propanediol butyl ether 4.71
    triethyl orthoformate 0.55
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 0.82
    morpholine 2.93
    tert-butylamine 0.28
    n-dodecanol 0.22
    dimethoxymethane 2.57
    ethylene carbonate 0.72
    cyrene 8.37
    2-ethoxyethyl acetate 0.39
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 0.09
    4-methylpyridine 0.47
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.23
    DEF 2.67
    dimethyl isosorbide 3.32
    tetrachloroethylene 0.19
    eugenol 1.66
    triacetin 0.5
    span 80 2.34
    1,4-butanediol 5.8
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.56
    methyl formate 4.74
    2-methyl-1-butanol 1.34
    n-decane 0.04
    butyronitrile 0.42
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.07
    1-chlorotetradecane 0.04
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 2.85
    tetrahydropyran 0.54
    tert-amyl methyl ether 0.24
    2,5,8-trioxanonane 4.58
    1-hexene 0.07
    2-isopropoxyethanol 2.14
    2,2,2-trifluoroethanol 6.4
    methyl butyrate 0.45

    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