Hypoxanthine

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  • Identifiers

    CAS number
    68-94-0

    Molecular formula
    C5H4N4O

    SMILES
    C1=NC2=C(N1)C(=O)NC=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 54.47%
    Burnt 39.34%
    Nutty 39.3%
    Bitter 26.06%
    Roasted 25.17%
    Musty 23.64%
    Popcorn 22.3%
    Cooked 20.59%
    Pungent 18.27%
    Coffee 16.13%

     

    Flavor
    Bitter 93.07%
    Odorless 30.77%
    Bread crust 18.88%
    Very strong 18.41%
    Cereal 18.32%
    Indole 18.04%
    Nitrile 17.88%
    Rotten 17.87%
    Moth ball 17.62%
    Naphthelene 17.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    10.29 (weak base)

    Molecular weight
    136.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Melting point expt.

    • 150 dec °C
    • 150 °C

    Flash point

    • 252.2 ˚C est.

    Solubility expt.

    • 700 mg/L (at 23 °C)
    • 0.7 mg/mL

  • Synonyms

    • hypoxanthine
    • 68-94-0
    • 6-Hydroxypurine
    • 9H-Purin-6-ol
    • 7H-Purin-6-ol
    • Sarkin
    • Sarcine
    • 3H-Purin-6-ol
    • 6-Oxopurine
    • 1,7-Dihydro-6H-purin-6-one
    • Sarkine
    • Hypoxanthine enol
    • Purin-6(1H)-one
    • Purin-6-ol
    • 9H-Purin-6(1H)-one
    • 6(1H)-Purinone
    • 6-Hydroxy-1H-purine
    • Purin-6(3H)-one
    • 6H-Purin-6-one, 1,7-dihydro-
    • Purine-6-ol
    • 6,7-dihydro-3H-purin-6-one
    • DTXSID8045983
    • CHEBI:17368
    • 2TN51YD919
    • NSC-14665
    • DTXCID6025983
    • NSC14665
    • RefChem:789621
    • 200-697-3
    • 1h-purin-6-ol
    • 1,9-dihydro-6H-purin-6-one
    • 3,7-dihydropurin-6-one
    • 146469-94-5
    • 95121-06-5
    • 1,7-Dihydro-6H-purine-6-one
    • 146469-95-6
    • 1H-Purin-6-ol (9CI)
    • 51953-04-9
    • MFCD00005725
    • 146445-70-7
    • 6H-Purin-6-one, 1,9-dihydro-
    • 9H-Purin-6-ol (VAN)
    • 6H-Purin-6-one, 3,7-dihydro- (9CI)
    • HX
    • NSC 14665
    • AI3-52242
    • DIDANOSINE IMPURITY A
    • CHEMBL1427
    • Mercaptopurine impurity A CRS
    • 6,7-dihydro-1H-purin-6-one
    • NCGC00095622-01
    • 1246820-04-1
    • 1,7-Dihydro-6H-purin-6-one (Hypoxanthine)
    • Discontinued. See H998503 or H998504
    • Hypoxsanthine (1,7-Dihydro-6H-purin-6-one)
    • 1H-Purin-6(9H)-one
    • F1386-0269
    • CAS-68-94-0
    • 146469-96-7
    • Hypoxanthine (VAN)
    • purin-6(1H)-on
    • EINECS 200-697-3
    • UNII-2TN51YD919
    • 3h-hypoxanthine
    • 6-hydroxypurin
    • 6-oxypurine
    • 6-purinol
    • 1vfn
    • 3nrz
    • Sarcine;Purin-6-ol
    • Hypoxanthine, 99%
    • purine, 6-hydroxy-
    • 1H,7H-Hypoxanthine
    • NSC 129419
    • 4-Hydroxy-1H-purine
    • Spectrum_001417
    • 1a9q
    • Hypoxanthine (Standard)
    • 7H-Purin-6-ol #
    • SpecPlus_000461
    • Spectrum2_001907
    • Spectrum3_001352
    • Spectrum4_001742
    • Spectrum5_000564
    • HYPOXANTHINE [MI]
    • 1,9-dihydropurin-6-one
    • Didanosine impurity A CRS
    • 3H-Purin-6(9H)-one
    • bmse000094
    • Epitope ID:167471
    • 1,9-Dihydro-purin-6-one
    • Hypoxanthine, >=99.0%
    • SCHEMBL25381
    • SCHEMBL25382
    • SCHEMBL25383
    • BSPBio_003163
    • KBioGR_002184
    • KBioSS_001897
    • Mercaptopurine EP Impurity A
    • SPECTRUM310023
    • 51953-23-2
    • Hypoxanthine (VAN) (8CI)
    • DivK1c_006557
    • HYPOXANTHINE [WHO-DD]
    • SCHEMBL158472
    • SCHEMBL158473
    • SCHEMBL275944
    • SCHEMBL275945
    • SCHEMBL355917
    • SCHEMBL440223
    • SCHEMBL446722
    • SCHEMBL822613
    • SPBio_001874
    • GTPL4555
    • orb1308844
    • orb3025461
    • SCHEMBL1867923
    • SCHEMBL3245216
    • SCHEMBL3696833
    • SCHEMBL4361878
    • SCHEMBL8012415
    • SCHEMBL8079826
    • SCHEMBL8169178
    • SCHEMBL9043222
    • SCHEMBL9047405
    • 3,7-Dihydro-6H-purin-6-one
    • 3,9-Dihydro-6H-purin-6-one
    • 68-94-0

  • Applications

    Hypoxanthine (CAS 68-94-0) is primarily used as a biochemical reagent and building block in nucleotide synthesis. In biotech and pharmaceutical workflows, it serves as a purine source in cell culture media (notably in selective systems such as HAT medium) and as a substrate for enzymatic assays, for example in xanthine oxidase activity measurements. It is also used as an intermediate precursor in the synthesis of purine nucleosides and nucleotide-based drug candidates, and may be employed as a reference material or analytical standard in nucleotide analysis. Its applications are typically within laboratory research, bioprocess development, and formulation pipelines, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.51
    methanol 5.08
    isopropanol 3.25
    water 1.97
    ethyl acetate 1.15
    n-propanol 3.92
    acetone 3.75
    n-butanol 3.52
    acetonitrile 1.8
    DMF 24.3
    toluene 0.18
    isobutanol 3.34
    1,4-dioxane 0.91
    methyl acetate 1.73
    THF 7.79
    2-butanone 4.61
    n-pentanol 3.19
    sec-butanol 4.18
    n-hexane 0.12
    ethylene glycol 8.37
    NMP 32.75
    cyclohexane 0.04
    DMSO 42.35
    n-butyl acetate 1.62
    n-octanol 0.78
    chloroform 0.32
    n-propyl acetate 1.44
    acetic acid 7.08
    dichloromethane 0.67
    cyclohexanone 4.14
    propylene glycol 9.5
    isopropyl acetate 0.8
    DMAc 18.87
    2-ethoxyethanol 12.03
    isopentanol 3.51
    n-heptane 0.2
    ethyl formate 2.24
    1,2-dichloroethane 0.68
    n-hexanol 1.67
    2-methoxyethanol 19.84
    isobutyl acetate 0.76
    tetrachloromethane 0.1
    n-pentyl acetate 1.44
    transcutol 12.78
    n-heptanol 1.23
    ethylbenzene 0.15
    MIBK 1.95
    2-propoxyethanol 8.0
    tert-butanol 3.37
    MTBE 0.97
    2-butoxyethanol 5.39
    propionic acid 4.94
    o-xylene 0.22
    formic acid 14.44
    diethyl ether 0.99
    m-xylene 0.22
    p-xylene 0.28
    chlorobenzene 0.23
    dimethyl carbonate 1.41
    n-octane 0.07
    formamide 20.85
    cyclopentanone 8.35
    2-pentanone 3.44
    anisole 0.62
    cyclopentyl methyl ether 1.99
    gamma-butyrolactone 8.83
    1-methoxy-2-propanol 14.32
    pyridine 2.42
    3-pentanone 2.1
    furfural 10.32
    n-dodecane 0.05
    diethylene glycol 11.85
    diisopropyl ether 0.33
    tert-amyl alcohol 3.82
    acetylacetone 2.18
    n-hexadecane 0.06
    acetophenone 1.52
    methyl propionate 2.35
    isopentyl acetate 1.47
    trichloroethylene 0.93
    n-nonanol 0.84
    cyclohexanol 1.92
    benzyl alcohol 1.97
    2-ethylhexanol 1.13
    isooctanol 1.13
    dipropyl ether 1.35
    1,2-dichlorobenzene 0.25
    ethyl lactate 3.3
    propylene carbonate 3.32
    n-methylformamide 12.8
    2-pentanol 2.49
    n-pentane 0.1
    1-propoxy-2-propanol 5.93
    1-methoxy-2-propyl acetate 2.28
    2-(2-methoxypropoxy) propanol 5.48
    mesitylene 0.17
    ε-caprolactone 4.29
    p-cymene 0.33
    epichlorohydrin 6.14
    1,1,1-trichloroethane 0.24
    2-aminoethanol 10.08
    morpholine-4-carbaldehyde 13.94
    sulfolane 18.79
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 3.84
    n-hexyl acetate 1.29
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 6.61
    sec-butyl acetate 0.84
    tert-butyl acetate 0.96
    decalin 0.05
    glycerin 20.82
    diglyme 9.63
    acrylic acid 6.23
    isopropyl myristate 0.62
    n-butyric acid 4.73
    acetyl acetate 0.43
    di(2-ethylhexyl) phthalate 1.4
    ethyl propionate 1.38
    nitromethane 9.0
    1,2-diethoxyethane 2.03
    benzonitrile 1.32
    trioctyl phosphate 1.09
    1-bromopropane 0.53
    gamma-valerolactone 11.8
    n-decanol 0.7
    triethyl phosphate 1.33
    4-methyl-2-pentanol 1.46
    propionitrile 1.8
    vinylene carbonate 2.23
    1,1,2-trichlorotrifluoroethane 7.48
    DMS 1.02
    cumene 0.19
    2-octanol 0.88
    2-hexanone 2.39
    octyl acetate 0.93
    limonene 0.49
    1,2-dimethoxyethane 7.83
    ethyl orthosilicate 1.16
    tributyl phosphate 1.2
    diacetone alcohol 4.37
    N,N-dimethylaniline 0.82
    acrylonitrile 2.94
    aniline 1.14
    1,3-propanediol 10.35
    bromobenzene 0.13
    dibromomethane 0.41
    1,1,2,2-tetrachloroethane 0.82
    2-methyl-cyclohexyl acetate 1.25
    tetrabutyl urea 2.12
    diisobutyl methanol 0.86
    2-phenylethanol 1.45
    styrene 0.16
    dioctyl adipate 1.24
    dimethyl sulfate 4.28
    ethyl butyrate 1.85
    methyl lactate 6.16
    butyl lactate 3.32
    diethyl carbonate 1.15
    propanediol butyl ether 6.0
    triethyl orthoformate 1.6
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 2.61
    morpholine 3.23
    tert-butylamine 1.29
    n-dodecanol 0.54
    dimethoxymethane 6.41
    ethylene carbonate 1.65
    cyrene 8.44
    2-ethoxyethyl acetate 2.2
    2-ethylhexyl acetate 1.13
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 1.95
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.86
    DEF 5.39
    dimethyl isosorbide 6.82
    tetrachloroethylene 0.55
    eugenol 4.29
    triacetin 1.74
    span 80 3.99
    1,4-butanediol 7.03
    1,1-dichloroethane 0.37
    2-methyl-1-pentanol 2.89
    methyl formate 5.95
    2-methyl-1-butanol 3.92
    n-decane 0.08
    butyronitrile 2.03
    3,7-dimethyl-1-octanol 0.87
    1-chlorooctane 0.22
    1-chlorotetradecane 0.12
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 4.33
    tetrahydropyran 1.07
    tert-amyl methyl ether 1.28
    2,5,8-trioxanonane 7.86
    1-hexene 0.4
    2-isopropoxyethanol 6.08
    2,2,2-trifluoroethanol 4.59
    methyl butyrate 2.45

    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