Adenosine

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  • Identifiers

    CAS number
    58-61-7

    Molecular formula
    C10H13N5O4

    SMILES
    C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.11%
    Sweet 23.21%
    Bitter 19.01%
    Savory 18.95%
    Milky 15.73%
    Cooked 14.71%
    Burnt 14.66%
    Vanilla 14.25%
    Meaty 13.95%
    Caramellic 13.33%

     

    Flavor
    Bitter 81.36%
    Odorless 41.2%
    Bland 28.22%
    Sweet-like 26.3%
    Cedarleaf 19.24%
    Bread crust 18.98%
    Cereal 18.9%
    Alkaline 18.9%
    Very slight 18.71%
    Scallion 18.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    3.46 (weak acid)

    Molecular weight
    267.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2067°C

    Melting point expt.

    • 235.5 °C

    Flash point

    • 358.42 ˚C est.

    Solubility expt.

    • >40.1 [ug/mL] (The mean of the results at pH 7.4)
    • Water solubility increases by warming and lowering the pH
    • Insoluble in ethanol
    • In water, 5.1 g/L at 25 °C
    • 37 mg/mL

  • Synonyms

    • adenosine
    • 58-61-7
    • Adenocard
    • Adenoscan
    • Adenine riboside
    • beta-D-Adenosine
    • Nucleocardyl
    • Adenosin
    • Sandesin
    • Boniton
    • Myocol
    • Adenine nucleoside
    • Adenocor
    • beta-Adenosine
    • 9-beta-D-Ribofuranosyladenine
    • 9-beta-D-Ribofuranosyl-9H-purin-6-amine
    • 9-beta-D-Ribofuranosidoadenine
    • USAF CB-10
    • Ade-Rib
    • 9beta-D-Ribofuranosyladenine
    • Adenosin [German]
    • 6-Amino-9-beta-D-ribofuranosyl-9H-purine
    • Caswell No. 010B
    • (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • SR 96225
    • beta-D-Ribofuranoside, adenine-9
    • 6-Amino-9beta-D-ribofuranosyl-9H-purine
    • adenine-D-ribose
    • (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • Adenosine [USAN:BAN]
    • CHEBI:16335
    • NSC 7652
    • (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
    • Adenogesic
    • CCRIS 2557
    • Adenin riboside
    • Quinquefolan B
    • SR-96225
    • 3H-adenosine
    • 9H-Purin-6-amine, 9beta-D-ribofuranosyl-
    • AI3-52413
    • EINECS 200-389-9
    • MFCD00005752
    • Dehydran 240
    • NSC 627048
    • UNII-K72T3FS567
    • DTXSID1022558
    • 9-.beta.-d-Ribofuranosyladenine
    • Adenosine (Adenocard)
    • HSDB 7774
    • K72T3FS567
    • NSC-7652
    • beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
    • CHEMBL477
    • Adenine riboside;D-Adenosine
    • 41547-82-4
    • Adenosine [USAN:USP:BAN]
    • DTXCID902558
    • NSC7652
    • NSC627048
    • Adenine-9-beta-D-ribofuranoside
    • NCGC00023673-05
    • Pallacor
    • ADENOSINE (MART.)
    • ADENOSINE [MART.]
    • ADENOSINE (USP-RS)
    • ADENOSINE [USP-RS]
    • 109767-06-8
    • 133248-01-8
    • Adenosine (USAN:USP:BAN)
    • D-Adenosine
    • ADENOSINE (EP IMPURITY)
    • ADENOSINE [EP IMPURITY]
    • ADENOSINE (EP MONOGRAPH)
    • ADENOSINE [EP MONOGRAPH]
    • ADENOSINE (USP MONOGRAPH)
    • ADENOSINE [USP MONOGRAPH]
    • Adenosina
    • Adenine 9-beta-D-arabinofuranoside
    • .beta.-D-Adenosine
    • CAS-58-61-7
    • Adenocard (TN)
    • Adenoscan (TN)
    • SMR000058216
    • MEDR-640
    • Adenosine (JAN/USP)
    • SR-05000001981
    • Adenosinum
    • .beta.-D-Ribofuranoside, adenine-9
    • 9-.alpha.-D-Arabinofuranosyladenine
    • Anti aging
    • MFCD00065471
    • CellExosome ST
    • Anti aging ample
    • Applicell Miracle
    • b-D-Adenosine
    • Stem Cell Renew
    • SUN-Y4001
    • N6-Methylado
    • 1dgm
    • 1odi
    • 2fqy
    • 2ydo
    • 3axz
    • 4cki
    • 4ckj
    • Limulus Nourishing
    • Biotoc Regen Peel
    • Biotoc Regen Serum
    • Adenosine Face Mask
    • CellExosome HE SR
    • beta-delta-Adenosine
    • B.S.c Ampul
    • Biotoc Regen Ampoule
    • CAVIALLCRYSTAL
    • [U-14C]adenosine
    • U-max Wrinkle Serum
    • 6-Amino-9.beta.-D-ribofuranosyl-9H-purine
    • Adenosine (Standard)
    • Applicell Perfect Eye
    • Tissen ICM 10
    • Tissen NF 10
    • SMART RECOVERY
    • JUVEHEAL A Ampoule
    • CELLPEDIA ATADIA
    • BOTOKI V MASK
    • 2gl0
    • 3ay0

  • Applications

    Adenosine (CAS 58-61-7) is used as a building block and intermediate in pharmaceutical research for nucleoside and nucleotide synthesis and for preparing nucleoside analogs; in biochemical and molecular biology applications, it serves as a substrate or cofactor in enzyme assays and metabolic studies; in cell culture and biotechnology workflows, it is employed as a nutrient or supplement to support nucleotide metabolism in cultured cells; in analytical laboratories it functions as a reference standard and calibrant for nucleosides and related compounds in HPLC and LC-MS analyses; and it may be encountered in research contexts as a substrate for enzymatic processes and as a component in assay kits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 3.94
    isopropanol 0.88
    water 6.45
    ethyl acetate 0.1
    n-propanol 1.54
    acetone 0.17
    n-butanol 1.32
    acetonitrile 0.42
    DMF 30.76
    toluene 0.06
    isobutanol 0.85
    1,4-dioxane 0.75
    methyl acetate 0.26
    THF 2.52
    2-butanone 0.58
    n-pentanol 0.65
    sec-butanol 1.18
    n-hexane 0.03
    ethylene glycol 11.64
    NMP 120.0
    cyclohexane 0.09
    DMSO 13.8
    n-butyl acetate 0.3
    n-octanol 0.25
    chloroform 0.1
    n-propyl acetate 0.19
    acetic acid 11.67
    dichloromethane 0.12
    cyclohexanone 2.43
    propylene glycol 18.11
    isopropyl acetate 0.08
    DMAc 35.18
    2-ethoxyethanol 6.87
    isopentanol 0.81
    n-heptane 0.12
    ethyl formate 0.62
    1,2-dichloroethane 0.13
    n-hexanol 0.75
    2-methoxyethanol 19.86
    isobutyl acetate 0.09
    tetrachloromethane 0.07
    n-pentyl acetate 0.24
    transcutol 5.09
    n-heptanol 0.68
    ethylbenzene 0.05
    MIBK 0.2
    2-propoxyethanol 5.04
    tert-butanol 0.63
    MTBE 0.11
    2-butoxyethanol 3.71
    propionic acid 3.0
    o-xylene 0.11
    formic acid 128.0
    diethyl ether 0.14
    m-xylene 0.06
    p-xylene 0.09
    chlorobenzene 0.05
    dimethyl carbonate 0.61
    n-octane 0.05
    formamide 74.91
    cyclopentanone 3.95
    2-pentanone 0.29
    anisole 0.14
    cyclopentyl methyl ether 0.73
    gamma-butyrolactone 6.56
    1-methoxy-2-propanol 8.64
    pyridine 1.52
    3-pentanone 0.36
    furfural 10.65
    n-dodecane 0.02
    diethylene glycol 15.42
    diisopropyl ether 0.04
    tert-amyl alcohol 0.89
    acetylacetone 0.27
    n-hexadecane 0.02
    acetophenone 0.49
    methyl propionate 0.45
    isopentyl acetate 0.29
    trichloroethylene 0.25
    n-nonanol 0.29
    cyclohexanol 1.57
    benzyl alcohol 0.8
    2-ethylhexanol 0.43
    isooctanol 0.46
    dipropyl ether 0.39
    1,2-dichlorobenzene 0.08
    ethyl lactate 1.55
    propylene carbonate 1.97
    n-methylformamide 15.78
    2-pentanol 0.55
    n-pentane 0.05
    1-propoxy-2-propanol 2.91
    1-methoxy-2-propyl acetate 0.68
    2-(2-methoxypropoxy) propanol 2.61
    mesitylene 0.05
    ε-caprolactone 3.03
    p-cymene 0.13
    epichlorohydrin 1.94
    1,1,1-trichloroethane 0.04
    2-aminoethanol 12.03
    morpholine-4-carbaldehyde 27.22
    sulfolane 27.61
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.2
    n-hexyl acetate 0.2
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.67
    sec-butyl acetate 0.09
    tert-butyl acetate 0.11
    decalin 0.02
    glycerin 63.73
    diglyme 5.64
    acrylic acid 6.9
    isopropyl myristate 0.11
    n-butyric acid 2.0
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.35
    ethyl propionate 0.18
    nitromethane 7.01
    1,2-diethoxyethane 0.34
    benzonitrile 0.54
    trioctyl phosphate 0.33
    1-bromopropane 0.09
    gamma-valerolactone 12.93
    n-decanol 0.23
    triethyl phosphate 0.53
    4-methyl-2-pentanol 0.27
    propionitrile 0.48
    vinylene carbonate 1.72
    1,1,2-trichlorotrifluoroethane 15.19
    DMS 0.29
    cumene 0.05
    2-octanol 0.3
    2-hexanone 0.28
    octyl acetate 0.18
    limonene 0.22
    1,2-dimethoxyethane 2.83
    ethyl orthosilicate 0.45
    tributyl phosphate 0.31
    diacetone alcohol 1.4
    N,N-dimethylaniline 0.26
    acrylonitrile 1.15
    aniline 0.51
    1,3-propanediol 10.87
    bromobenzene 0.03
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.3
    2-methyl-cyclohexyl acetate 0.42
    tetrabutyl urea 0.76
    diisobutyl methanol 0.22
    2-phenylethanol 0.78
    styrene 0.05
    dioctyl adipate 0.25
    dimethyl sulfate 3.07
    ethyl butyrate 0.36
    methyl lactate 5.07
    butyl lactate 1.36
    diethyl carbonate 0.28
    propanediol butyl ether 4.09
    triethyl orthoformate 0.56
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 0.85
    morpholine 3.12
    tert-butylamine 0.24
    n-dodecanol 0.17
    dimethoxymethane 2.12
    ethylene carbonate 1.05
    cyrene 9.62
    2-ethoxyethyl acetate 0.4
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 0.71
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.22
    DEF 2.07
    dimethyl isosorbide 3.66
    tetrachloroethylene 0.32
    eugenol 1.65
    triacetin 0.5
    span 80 2.31
    1,4-butanediol 4.46
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.46
    methyl formate 4.86
    2-methyl-1-butanol 1.07
    n-decane 0.04
    butyronitrile 0.4
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.06
    1-chlorotetradecane 0.03
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 3.0
    tetrahydropyran 0.65
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 4.41
    1-hexene 0.07
    2-isopropoxyethanol 1.91
    2,2,2-trifluoroethanol 9.78
    methyl butyrate 0.42

    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