Guanine

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  • Identifiers

    CAS number
    73-40-5

    Molecular formula
    C5H5N5O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 66.03%
    Burnt 28.49%
    Bitter 24.25%
    Nutty 21.6%
    Cooked 21.04%
    Roasted 20.64%
    Meaty 18.43%
    Musty 18.07%
    Savory 17.27%
    Animal 16.21%

     

    Flavor
    Bitter 90.07%
    Odorless 37.7%
    Bread crust 19.82%
    Very strong 19.24%
    Nitrile 19.18%
    Rotten 19.01%
    Cereal 18.81%
    Scallion 18.77%
    Indole 18.75%
    Formyl 18.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    10.69 (weak base)

    Molecular weight
    151.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 360 dec °C
    • 360 °C (DECOMP)
    • 360 °C

    Boiling point

    • BOILING POINT: SUBLIMES

    Flash point

    • 281.64 ˚C est.

    Solubility expt.

    • 2080 mg/L (at 37 °C)
    • CRYSTALLINE POWDER; LOSES WATER @ 100 °C & HYDROGEN CHLORIDE @ 200 °C; PRACTICALLY INSOL IN WATER, ALC, ETHER; SOL IN ACIDULATED WATER /HYDROCHLORIDE/
    • FREELY SOL IN DIL ACIDS & AQ POTASSIUM HYDROXIDE SOLN; SPARINGLY SOL IN ALCOHOL; ALMOST INSOL IN WATER
    • SOL IN AMMONIUM HYDROXIDE & ALKALI; SLIGHTLY SOL IN ETHER; INSOL IN ACETIC ACID, SLIGHTLY SOL IN ETHER
    • 2.08 mg/mL at 37 °C

  • Synonyms

    • guanine
    • 73-40-5
    • 2-Amino-6-hydroxypurine
    • 2-Aminohypoxanthine
    • Guanin
    • Mearlmaid
    • Guanine enol
    • Pearl essence
    • Stella Polaris
    • Dew Pearl
    • Naturon
    • Natural white 1
    • Natural pearl essence
    • 6H-Purin-6-one, 2-amino-1,7-dihydro-
    • CI Natural white 1
    • C.I. Natural White 1
    • 2-Amino-1,7-dihydro-6H-purin-6-one
    • Hypoxanthine, 2-amino-
    • 6-Hydroxy-2-aminopurine
    • 2-amino-1,7-dihydropurin-6-one
    • CI 75170
    • 2-amino-3,7-dihydropurin-6-one
    • C.I. 75170
    • DTXSID9052476
    • CHEBI:16235
    • 5Z93L87A1R
    • C.i. no. 75170 (guanine)
    • 2-amino-6,9-dihydro-1H-purin-6-one
    • 2-amino-6,7-dihydro-3H-purin-6-one
    • RefChem:5874
    • DTXCID6031049
    • 200-799-8
    • 2-amino-1H-purin-6(7H)-one
    • 2-amino-1,9-dihydro-6H-purin-6-one
    • 2-Amino-6-purinol
    • 2-amino-9H-purin-6-ol
    • 6H-Purin-6-one, 2-amino-1,9-dihydro-
    • MFCD00071533
    • HSDB 2127
    • Mearlmaid AA
    • AI3-24393
    • 2-amino-1,9-dihydropurin-6-one
    • 66224-64-4
    • 2-Amino-6-hydroxy-1H-purine
    • CHEMBL219568
    • GUA
    • 2-Amino-1,9-dihydro-purin-6-one
    • 71660-36-1
    • 2-aminohydropurin-6-one
    • 2-Amino-1,7-dihydro-6H-purin-6-one (Guanine)
    • GUN
    • 2-amino-6-hydroxypurin
    • EINECS 200-799-8
    • 2-AMINO-3H-PURIN-6(7H)-ONE
    • Guanie
    • 6H-purin-6-one, 2-amino-3,7-dihydro-
    • UNII-5Z93L87A1R
    • 9h-guanine
    • Guanine, BioUltra
    • Guanine (Standard)
    • Guanine (8CI)
    • 2-amino-6-oxypurin
    • 2-amino-Hypoxanthine
    • 2-amino-6,7-dihydro-1H-purin-6-one
    • Guanine, 98%
    • GUANINE [HSDB]
    • GUANINE [MI]
    • GUANINE [USP-RS]
    • GUANINE [WHO-IP]
    • Ganciclovir EP Impurity F
    • bmse000090
    • Epitope ID:140098
    • SCHEMBL5259
    • SCHEMBL5260
    • Oprea1_875298
    • purine, 2-amino-6-hydroxy-
    • GUANINE [EP IMPURITY]
    • SCHEMBL122461
    • SCHEMBL142922
    • SCHEMBL342789
    • SCHEMBL443984
    • SCHEMBL534997
    • SCHEMBL535022
    • SCHEMBL536760
    • GUANINE [USP IMPURITY]
    • GTPL4556
    • orb1304746
    • SCHEMBL1338837
    • SCHEMBL1338839
    • SCHEMBL2216795
    • SCHEMBL3241710
    • SCHEMBL6126257
    • SCHEMBL7857549
    • 2-amino-1h-purin-6(9h)-one
    • SCHEMBL10332674
    • SCHEMBL11877187
    • SCHEMBL16389311
    • SCHEMBL31714144
    • HY-Y1055R
    • MSK6919
    • ALBB-025935
    • BB_NC-01199
    • HY-Y1055
    • Valacyclovir hydrochloride, guanine-
    • BBL009290
    • BBL009641
    • BDBM50200094
    • EBC-03249
    • s4888
    • SBB004065
    • STK297804
    • STK801924
    • ACICLOVIR IMPURITY B [WHO-IP]
    • AKOS000118904
    • AKOS001426592
    • AKOS005139176
    • AKOS016002094
    • Valganciclovir hydrochloride impurity b
    • AC-4743
    • CS-6269
    • DB02377
    • FG02963
    • 2-amino-3,7-dihydro-6H-purin-6-one
    • 2-amino-1H-purin-6(9H)-one; Guanine
    • NCGC00246975-01
    • AS-10918
    • NCI60_012450
    • 73-40-5

  • Applications

    Guanine (CAS 73-40-5) is primarily used as a nucleobase building block in nucleotide and nucleoside chemistry for biotech and pharmaceutical R&D, including oligonucleotide synthesis for PCR, sequencing, and diagnostic workflows; it also serves as an intermediate in the preparation of purine derivatives and nucleotide-based therapeutics in drug discovery; and as an analytical reference material or standard for chromatographic and mass spectrometric analysis of nucleotides in research and quality control; in academic settings it functions as a reagent for nucleic acid chemistry and related educational syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.02
    methanol 0.03
    isopropanol 0.02
    water 0.06
    ethyl acetate 0.01
    n-propanol 0.03
    acetone 0.01
    n-butanol 0.03
    acetonitrile 0.01
    DMF 1.0
    toluene 0.0
    isobutanol 0.02
    1,4-dioxane 0.01
    methyl acetate 0.02
    THF 0.12
    2-butanone 0.04
    n-pentanol 0.04
    sec-butanol 0.03
    n-hexane 0.0
    ethylene glycol 0.27
    NMP 2.86
    cyclohexane 0.0
    DMSO 4.55
    n-butyl acetate 0.08
    n-octanol 0.03
    chloroform 0.01
    n-propyl acetate 0.03
    acetic acid 0.05
    dichloromethane 0.01
    cyclohexanone 0.06
    propylene glycol 0.31
    isopropyl acetate 0.01
    DMAc 1.63
    2-ethoxyethanol 0.31
    isopentanol 0.04
    n-heptane 0.0
    ethyl formate 0.04
    1,2-dichloroethane 0.01
    n-hexanol 0.05
    2-methoxyethanol 0.59
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 0.27
    n-heptanol 0.06
    ethylbenzene 0.0
    MIBK 0.03
    2-propoxyethanol 0.63
    tert-butanol 0.02
    MTBE 0.01
    2-butoxyethanol 0.5
    propionic acid 0.07
    o-xylene 0.0
    formic acid 0.36
    diethyl ether 0.0
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.04
    n-octane 0.0
    formamide 0.35
    cyclopentanone 0.2
    2-pentanone 0.02
    anisole 0.01
    cyclopentyl methyl ether 0.02
    gamma-butyrolactone 0.37
    1-methoxy-2-propanol 0.45
    pyridine 0.02
    3-pentanone 0.02
    furfural 0.61
    n-dodecane 0.0
    diethylene glycol 1.23
    diisopropyl ether 0.0
    tert-amyl alcohol 0.04
    acetylacetone 0.03
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.03
    isopentyl acetate 0.09
    trichloroethylene 0.01
    n-nonanol 0.04
    cyclohexanol 0.02
    benzyl alcohol 0.03
    2-ethylhexanol 0.05
    isooctanol 0.05
    dipropyl ether 0.03
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.24
    propylene carbonate 0.16
    n-methylformamide 0.29
    2-pentanol 0.02
    n-pentane 0.0
    1-propoxy-2-propanol 0.49
    1-methoxy-2-propyl acetate 0.14
    2-(2-methoxypropoxy) propanol 0.6
    mesitylene 0.0
    ε-caprolactone 0.1
    p-cymene 0.01
    epichlorohydrin 0.14
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.24
    morpholine-4-carbaldehyde 1.01
    sulfolane 2.51
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.03
    n-hexyl acetate 0.05
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.47
    sec-butyl acetate 0.02
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 2.06
    diglyme 0.68
    acrylic acid 0.14
    isopropyl myristate 0.03
    n-butyric acid 0.07
    acetyl acetate 0.0
    di(2-ethylhexyl) phthalate 0.11
    ethyl propionate 0.03
    nitromethane 0.14
    1,2-diethoxyethane 0.03
    benzonitrile 0.03
    trioctyl phosphate 0.1
    1-bromopropane 0.0
    gamma-valerolactone 0.57
    n-decanol 0.03
    triethyl phosphate 0.13
    4-methyl-2-pentanol 0.02
    propionitrile 0.02
    vinylene carbonate 0.1
    1,1,2-trichlorotrifluoroethane 0.97
    DMS 0.04
    cumene 0.0
    2-octanol 0.03
    2-hexanone 0.06
    octyl acetate 0.04
    limonene 0.01
    1,2-dimethoxyethane 0.31
    ethyl orthosilicate 0.09
    tributyl phosphate 0.1
    diacetone alcohol 0.17
    N,N-dimethylaniline 0.02
    acrylonitrile 0.06
    aniline 0.01
    1,3-propanediol 0.24
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.23
    diisobutyl methanol 0.03
    2-phenylethanol 0.05
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 0.38
    ethyl butyrate 0.06
    methyl lactate 0.36
    butyl lactate 0.35
    diethyl carbonate 0.05
    propanediol butyl ether 0.58
    triethyl orthoformate 0.09
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.19
    morpholine 0.04
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 0.11
    ethylene carbonate 0.06
    cyrene 1.18
    2-ethoxyethyl acetate 0.06
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.02
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.11
    dimethyl isosorbide 1.05
    tetrachloroethylene 0.01
    eugenol 0.43
    triacetin 0.09
    span 80 0.35
    1,4-butanediol 0.16
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.04
    methyl formate 0.14
    2-methyl-1-butanol 0.04
    n-decane 0.0
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.04
    tetrahydropyran 0.01
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.65
    1-hexene 0.0
    2-isopropoxyethanol 0.14
    2,2,2-trifluoroethanol 0.13
    methyl butyrate 0.07

    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