Adenine

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  • Identifiers

    CAS number
    73-24-5

    Molecular formula
    C5H5N5

    SMILES
    C1=NC2=NC=NC(=C2N1)N

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 43.37%
    Nutty 36.99%
    Roasted 34.64%
    Burnt 33.37%
    Meaty 29.78%
    Musty 27.06%
    Cooked 22.89%
    Fishy 22.53%
    Animal 22.19%
    Popcorn 21.23%

     

    Flavor
    Bitter 87.04%
    Odorless 28.85%
    Roasted 23.03%
    Nutty 21.23%
    Bread crust 20.52%
    Cereal 20.23%
    Very strong 19.79%
    Scallion 19.43%
    Indole 19.43%
    Soybean 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.58 (weak base)

    Molecular weight
    135.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    483°C

    Melting point expt.

    • 360 dec °C
    • 360 °C

    Flash point

    • 269.15 ˚C est.

    Solubility expt.

    • >20.3 [ug/mL] (The mean of the results at pH 7.4)
    • 1030 mg/L (at 25 °C)
    • 1.03 mg/mL

  • Synonyms

    • adenine
    • 73-24-5
    • 6-Aminopurine
    • 1H-Purin-6-amine
    • 9H-Purin-6-amine
    • 7H-Purin-6-amine
    • Vitamin B4
    • Adenin
    • Adeninimine
    • Leuco-4
    • 6-Amino-1H-purine
    • 6-Amino-3H-purine
    • 6-Amino-7H-purine
    • 6-Amino-9H-purine
    • 1,6-Dihydro-6-iminopurine
    • Purine, 6-amino-
    • 3,6-Dihydro-6-iminopurine
    • USAF CB-18
    • 1H-Purine, 6-amino
    • Adenine [JAN]
    • ADE
    • 9H-Purine, 1,6-dihydro-6-imino-
    • 3H-Purin-6(7H)-imine
    • NSC 14666
    • CCRIS 2556
    • CHEBI:16708
    • 1H-Purine-6-amine
    • AI3-50679
    • MFCD00041790
    • NSC-14666
    • 66224-66-6
    • 71660-29-2
    • EINECS 200-796-1
    • 7H-Purin-6-amine (9CI)
    • UNII-JAC85A2161
    • 9H-Purine-6-amine
    • 9H-purin-6-ylamine
    • 134434-48-3
    • DTXSID6022557
    • Adenine [USP:JAN]
    • JAC85A2161
    • 1H-Purine, 6-amino-
    • 6H-Purin-6-imine, 3,9-dihydro-, (Z)- (9CI)
    • CHEMBL226345
    • DTXCID502557
    • 134434-49-4
    • 134454-76-5
    • 6,7-dihydro-3H-purin-6-imine
    • NSC14666
    • 6H-Purin-6-imine, 1,7-dihydro-, (Z)- (9CI)
    • 6H-Purin-6-imine, 1,9-dihydro-, (E)- (9CI)
    • 6H-Purin-6-imine, 3,7-dihydro-, (Z)- (9CI)
    • (Z)-3,9-Dihydro-6H-purin-6-imine
    • 134461-75-9
    • Adenine (USP:JAN)
    • NCGC00094856-01
    • Pedatisectine B
    • ADENINE (MART.)
    • ADENINE [MART.]
    • ADENINE (USP-RS)
    • ADENINE [USP-RS]
    • Adenine; 7H-purin-6-amine
    • Vitamin B 4
    • ADENINE (EP MONOGRAPH)
    • ADENINE (USP IMPURITY)
    • ADENINE [EP MONOGRAPH]
    • ADENINE [USP IMPURITY]
    • 4, Vitamin B
    • B 4, Vitamin
    • ADENINE (USP MONOGRAPH)
    • ADENINE [USP MONOGRAPH]
    • Adenine, United States Pharmacopeia (USP) Reference Standard
    • adenine-ring
    • CAS-73-24-5
    • Adenine (8CI)
    • Adenine (JAN/USP)
    • SR-05000001754
    • 1H-purin-6(9H)-imine
    • 6-Aminopurine; Vitamin B4
    • 1H-Purin-6-amine (9CI)
    • 3H-Purin-6-amine (9CI)
    • 6-Purinylamine
    • 3h-adenine
    • 6-amino purine
    • 6-amino-Purine
    • purin-6-amine
    • 1jys
    • 1nli
    • 1wei
    • 2pqj
    • 3kpv
    • [3H]adenine
    • Adenine, 1
    • Adenine (Standard)
    • ALBB-005925
    • Adenine1546
    • 7H-purin-6-ylamine
    • 71660-30-5
    • (S)-Norfluoxetine-d5
    • 9H-Purin-6-yl-amin
    • KINETIN_met004
    • Spectrum_001106
    • 2p8n
    • starbld0001134
    • 9H-Purin-6-yl-amine
    • ADENINE [VANDF]
    • SpecPlus_000535
    • Adenine, >=99%
    • 9H-Purin-6-amine #
    • ADENINE [MI]
    • Spectrum2_000583
    • Spectrum3_000616
    • Spectrum4_001891
    • Spectrum5_000542
    • ADENINE [WHO-DD]
    • 6-Aminopurine;Vitamin B4
    • bmse000060
    • bmse000861
    • bmse000995
    • Epitope ID:140097
    • Adenine, cell culture grade
    • SCHEMBL8110
    • Oprea1_057274
    • US9138393, Adenine
    • US9144538, Adenine
    • BSPBio_002152
    • KBioGR_002447
    • KBioGR_002562

  • Applications

    Adenine (CAS 73-24-5) is primarily used as a nucleotide/nucleoside building block in pharmaceutical research, serving as an intermediate for the synthesis of nucleotide-based drugs and related derivatives; in molecular biology and biochemistry, it functions as a reagent for oligonucleotide synthesis, enzymatic assays, and other nucleic-acid workflows; it is also employed as an analytical reference standard or calibrant in chromatographic and spectrometric methods; in bioprocessing and cell culture contexts, it may be added as a growth-supporting supplement to certain media; and it is encountered as a laboratory chemical precursor in nucleotide metabolism studies and related academic and industrial research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.06
    methanol 4.69
    isopropanol 2.52
    water 1.15
    ethyl acetate 0.67
    n-propanol 3.33
    acetone 1.57
    n-butanol 3.12
    acetonitrile 0.8
    DMF 6.93
    toluene 0.13
    isobutanol 2.6
    1,4-dioxane 0.56
    methyl acetate 0.87
    THF 7.44
    2-butanone 2.48
    n-pentanol 2.34
    sec-butanol 3.13
    n-hexane 0.07
    ethylene glycol 6.66
    NMP 17.63
    cyclohexane 0.03
    DMSO 22.89
    n-butyl acetate 1.02
    n-octanol 0.45
    chloroform 0.27
    n-propyl acetate 0.64
    acetic acid 7.58
    dichloromethane 0.44
    cyclohexanone 2.71
    propylene glycol 11.41
    isopropyl acetate 0.47
    DMAc 8.51
    2-ethoxyethanol 8.53
    isopentanol 2.7
    n-heptane 0.16
    ethyl formate 1.51
    1,2-dichloroethane 0.42
    n-hexanol 1.52
    2-methoxyethanol 18.38
    isobutyl acetate 0.39
    tetrachloromethane 0.13
    n-pentyl acetate 0.99
    transcutol 6.6
    n-heptanol 1.08
    ethylbenzene 0.07
    MIBK 1.17
    2-propoxyethanol 6.98
    tert-butanol 2.37
    MTBE 0.54
    2-butoxyethanol 4.58
    propionic acid 3.8
    o-xylene 0.14
    formic acid 17.57
    diethyl ether 0.55
    m-xylene 0.14
    p-xylene 0.14
    chlorobenzene 0.18
    dimethyl carbonate 0.73
    n-octane 0.05
    formamide 17.17
    cyclopentanone 6.29
    2-pentanone 1.97
    anisole 0.29
    cyclopentyl methyl ether 1.58
    gamma-butyrolactone 6.59
    1-methoxy-2-propanol 12.25
    pyridine 1.56
    3-pentanone 1.16
    furfural 7.47
    n-dodecane 0.03
    diethylene glycol 10.44
    diisopropyl ether 0.19
    tert-amyl alcohol 2.77
    acetylacetone 1.17
    n-hexadecane 0.04
    acetophenone 0.7
    methyl propionate 1.27
    isopentyl acetate 0.98
    trichloroethylene 0.64
    n-nonanol 0.53
    cyclohexanol 1.38
    benzyl alcohol 1.08
    2-ethylhexanol 0.92
    isooctanol 0.96
    dipropyl ether 0.91
    1,2-dichlorobenzene 0.19
    ethyl lactate 1.93
    propylene carbonate 2.4
    n-methylformamide 6.62
    2-pentanol 1.92
    n-pentane 0.07
    1-propoxy-2-propanol 4.65
    1-methoxy-2-propyl acetate 1.44
    2-(2-methoxypropoxy) propanol 3.5
    mesitylene 0.1
    ε-caprolactone 2.72
    p-cymene 0.22
    epichlorohydrin 4.39
    1,1,1-trichloroethane 0.21
    2-aminoethanol 9.82
    morpholine-4-carbaldehyde 6.71
    sulfolane 14.3
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.12
    n-hexyl acetate 0.72
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.34
    sec-butyl acetate 0.41
    tert-butyl acetate 0.6
    decalin 0.03
    glycerin 22.19
    diglyme 5.68
    acrylic acid 4.93
    isopropyl myristate 0.36
    n-butyric acid 4.35
    acetyl acetate 0.28
    di(2-ethylhexyl) phthalate 0.9
    ethyl propionate 0.64
    nitromethane 5.35
    1,2-diethoxyethane 1.07
    benzonitrile 0.73
    trioctyl phosphate 0.72
    1-bromopropane 0.35
    gamma-valerolactone 8.33
    n-decanol 0.43
    triethyl phosphate 0.83
    4-methyl-2-pentanol 1.07
    propionitrile 1.04
    vinylene carbonate 1.57
    1,1,2-trichlorotrifluoroethane 6.9
    DMS 0.53
    cumene 0.1
    2-octanol 0.64
    2-hexanone 1.23
    octyl acetate 0.54
    limonene 0.33
    1,2-dimethoxyethane 3.96
    ethyl orthosilicate 0.75
    tributyl phosphate 0.76
    diacetone alcohol 3.21
    N,N-dimethylaniline 0.41
    acrylonitrile 1.58
    aniline 0.86
    1,3-propanediol 11.06
    bromobenzene 0.1
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 0.61
    2-methyl-cyclohexyl acetate 0.83
    tetrabutyl urea 1.24
    diisobutyl methanol 0.63
    2-phenylethanol 0.99
    styrene 0.08
    dioctyl adipate 0.63
    dimethyl sulfate 2.48
    ethyl butyrate 1.07
    methyl lactate 4.38
    butyl lactate 2.42
    diethyl carbonate 0.62
    propanediol butyl ether 4.14
    triethyl orthoformate 1.02
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 1.69
    morpholine 2.08
    tert-butylamine 0.81
    n-dodecanol 0.32
    dimethoxymethane 3.43
    ethylene carbonate 1.13
    cyrene 5.85
    2-ethoxyethyl acetate 1.39
    2-ethylhexyl acetate 0.72
    1,2,4-trichlorobenzene 0.32
    4-methylpyridine 1.19
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.63
    DEF 2.37
    dimethyl isosorbide 4.54
    tetrachloroethylene 0.5
    eugenol 2.73
    triacetin 0.96
    span 80 2.66
    1,4-butanediol 5.45
    1,1-dichloroethane 0.25
    2-methyl-1-pentanol 1.94
    methyl formate 3.22
    2-methyl-1-butanol 2.94
    n-decane 0.05
    butyronitrile 1.28
    3,7-dimethyl-1-octanol 0.55
    1-chlorooctane 0.13
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.04
    cyclooctane 0.02
    cyclopentanol 3.96
    tetrahydropyran 0.74
    tert-amyl methyl ether 0.79
    2,5,8-trioxanonane 4.68
    1-hexene 0.22
    2-isopropoxyethanol 3.93
    2,2,2-trifluoroethanol 4.18
    methyl butyrate 1.14

    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