1-Methylguanine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    938-85-2

    Molecular formula
    C6H7N5O

    SMILES
    CN1C(=O)C2=C(N=CN2)N=C1N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.24%
    Bitter 28.41%
    Burnt 27.82%
    Roasted 21.02%
    Nutty 19.55%
    Musty 19.22%
    Animal 17.47%
    Cooked 17.32%
    Meaty 15.89%
    Savory 15.72%

     

    Flavor
    Bitter 93.27%
    Odorless 39.99%
    Bread crust 20.34%
    Very strong 19.76%
    Nitrile 19.6%
    Sweet-like 19.33%
    Cereal 19.24%
    Indole 19.22%
    Soybean 19.11%
    Cedarleaf 19.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    8.03 (weak base)

    Molecular weight
    165.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    994°C

    Flash point

    • 258.52 ˚C est.

  • Synonyms

    • 1-Methylguanine
    • 938-85-2
    • N1-Methylguanine
    • Guanine, 1-methyl-
    • 2-amino-1-methyl-6,7-dihydro-1H-purin-6-one
    • 2-amino-1-methyl-1,9-dihydro-6H-purin-6-one
    • 6H-Purin-6-one, 2-amino-1,7-dihydro-1-methyl-
    • DTXSID4049377
    • 1ATY0M8242
    • NSC-50718
    • DTXCID1029336
    • CHEBI:21803
    • 2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one
    • RefChem:907702
    • 213-348-5
    • 2-amino-1-methyl-7H-purin-6-one
    • 2-Amino-1-methyl-1,7-dihydro-6H-purin-6-one
    • 1-methyl-guanine
    • UNII-1ATY0M8242
    • 1-methylguanin
    • 2-Amino-6-hydroxy-1-methylpurine
    • EINECS 213-348-5
    • NSC 50718
    • 7-Me-Gua
    • 1-methyl-(8CI)-guanine
    • 1-Methylguanine, >=95%
    • SCHEMBL20866
    • SCHEMBL20867
    • SCHEMBL546236
    • SCHEMBL546237
    • SCHEMBL8660614
    • CHEMBL2396855
    • rRNA containing N1-methylguanine
    • 2-amino-1-methyl-9H-purin-6-one
    • NSC50718
    • Tox21_202952
    • purine, 2-amino-6-hydroxy-1-methyl-
    • NCGC00260498-01
    • 2-amino-1-methyl-1H-purin-6(9H)-one
    • AS-83352
    • CAS-938-85-2
    • CS-0311904
    • NS00002421
    • 2-Amino-1-methyl-1,7-dihydro-6H-purin-6-one #
    • Q161646
    • 2-Imino-1-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
    • 6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-1-METHYL-
    • 938-85-2

  • Applications

    1-Methylguanine is a methylated purine base primarily used as a research reagent in nucleotide chemistry and in the synthesis of nucleoside analogs for pharmaceutical research; it is also employed as an analytical standard in HPLC/UV methods to quantify purines and nucleobases. Additionally, it serves in enzymology and DNA repair studies to assess the impact of methylation on guanine and as a model compound for methylation effects in nucleobases. It may be used as a reference in evaluating physicochemical properties relevant to nucleobase chemistry and polymer/biomolecular applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.12
    methanol 0.25
    isopropanol 0.13
    water 0.49
    ethyl acetate 0.02
    n-propanol 0.15
    acetone 0.04
    n-butanol 0.19
    acetonitrile 0.06
    DMF 2.12
    toluene 0.01
    isobutanol 0.16
    1,4-dioxane 0.09
    methyl acetate 0.06
    THF 0.43
    2-butanone 0.15
    n-pentanol 0.17
    sec-butanol 0.19
    n-hexane 0.01
    ethylene glycol 0.94
    NMP 4.07
    cyclohexane 0.0
    DMSO 6.69
    n-butyl acetate 0.17
    n-octanol 0.1
    chloroform 0.12
    n-propyl acetate 0.07
    acetic acid 0.25
    dichloromethane 0.15
    cyclohexanone 0.32
    propylene glycol 0.85
    isopropyl acetate 0.03
    DMAc 3.37
    2-ethoxyethanol 1.02
    isopentanol 0.24
    n-heptane 0.01
    ethyl formate 0.17
    1,2-dichloroethane 0.1
    n-hexanol 0.22
    2-methoxyethanol 2.57
    isobutyl acetate 0.05
    tetrachloromethane 0.05
    n-pentyl acetate 0.17
    transcutol 0.76
    n-heptanol 0.22
    ethylbenzene 0.01
    MIBK 0.1
    2-propoxyethanol 1.48
    tert-butanol 0.19
    MTBE 0.04
    2-butoxyethanol 1.32
    propionic acid 0.24
    o-xylene 0.02
    formic acid 1.73
    diethyl ether 0.02
    m-xylene 0.01
    p-xylene 0.04
    chlorobenzene 0.02
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 1.76
    cyclopentanone 0.68
    2-pentanone 0.09
    anisole 0.05
    cyclopentyl methyl ether 0.08
    gamma-butyrolactone 0.89
    1-methoxy-2-propanol 1.35
    pyridine 0.19
    3-pentanone 0.07
    furfural 2.06
    n-dodecane 0.0
    diethylene glycol 3.14
    diisopropyl ether 0.01
    tert-amyl alcohol 0.26
    acetylacetone 0.08
    n-hexadecane 0.0
    acetophenone 0.15
    methyl propionate 0.08
    isopentyl acetate 0.23
    trichloroethylene 0.19
    n-nonanol 0.12
    cyclohexanol 0.11
    benzyl alcohol 0.16
    2-ethylhexanol 0.16
    isooctanol 0.2
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.05
    ethyl lactate 0.38
    propylene carbonate 0.4
    n-methylformamide 0.8
    2-pentanol 0.09
    n-pentane 0.0
    1-propoxy-2-propanol 0.96
    1-methoxy-2-propyl acetate 0.26
    2-(2-methoxypropoxy) propanol 1.1
    mesitylene 0.01
    ε-caprolactone 0.42
    p-cymene 0.04
    epichlorohydrin 0.84
    1,1,1-trichloroethane 0.06
    2-aminoethanol 0.93
    morpholine-4-carbaldehyde 2.26
    sulfolane 4.2
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.18
    n-hexyl acetate 0.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.11
    sec-butyl acetate 0.04
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 4.67
    diglyme 1.61
    acrylic acid 0.41
    isopropyl myristate 0.07
    n-butyric acid 0.28
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.3
    ethyl propionate 0.07
    nitromethane 0.42
    1,2-diethoxyethane 0.11
    benzonitrile 0.17
    trioctyl phosphate 0.24
    1-bromopropane 0.05
    gamma-valerolactone 1.71
    n-decanol 0.09
    triethyl phosphate 0.27
    4-methyl-2-pentanol 0.08
    propionitrile 0.1
    vinylene carbonate 0.33
    1,1,2-trichlorotrifluoroethane 2.82
    DMS 0.12
    cumene 0.02
    2-octanol 0.13
    2-hexanone 0.15
    octyl acetate 0.11
    limonene 0.05
    1,2-dimethoxyethane 1.02
    ethyl orthosilicate 0.22
    tributyl phosphate 0.23
    diacetone alcohol 0.48
    N,N-dimethylaniline 0.09
    acrylonitrile 0.2
    aniline 0.06
    1,3-propanediol 1.25
    bromobenzene 0.02
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.25
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.43
    diisobutyl methanol 0.1
    2-phenylethanol 0.23
    styrene 0.01
    dioctyl adipate 0.14
    dimethyl sulfate 0.74
    ethyl butyrate 0.14
    methyl lactate 0.69
    butyl lactate 0.68
    diethyl carbonate 0.12
    propanediol butyl ether 1.18
    triethyl orthoformate 0.19
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.5
    morpholine 0.25
    tert-butylamine 0.06
    n-dodecanol 0.07
    dimethoxymethane 0.36
    ethylene carbonate 0.21
    cyrene 2.04
    2-ethoxyethyl acetate 0.22
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.09
    4-methylpyridine 0.14
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.1
    DEF 0.31
    dimethyl isosorbide 1.71
    tetrachloroethylene 0.18
    eugenol 1.02
    triacetin 0.19
    span 80 0.75
    1,4-butanediol 0.64
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.22
    methyl formate 0.42
    2-methyl-1-butanol 0.24
    n-decane 0.01
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.27
    tetrahydropyran 0.05
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 1.32
    1-hexene 0.02
    2-isopropoxyethanol 0.46
    2,2,2-trifluoroethanol 0.56
    methyl butyrate 0.16

    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