N4-Acetylcytidine

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  • Identifiers

    CAS number
    3768-18-1

    Molecular formula
    C11H15N3O6

    SMILES
    CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.01%
    Savory 26.53%
    Meaty 21.56%
    Bitter 19.4%
    Cooked 18.74%
    Milky 18.03%
    Roasted 16.72%
    Sweet 16.01%
    Burnt 15.42%
    Cooling 15.18%

     

    Flavor
    Bitter 67.85%
    Odorless 48.43%
    Bland 26.96%
    Very mild 24.1%
    Sweet-like 23.74%
    Mild 23.6%
    Yeast 19.33%
    Roasted peanuts 19.15%
    Bread crust 19.13%
    Taco 18.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    5.24 (weak acid)

    Molecular weight
    285.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2121°C

    Flash point

    • 287.52 ˚C est.

  • Synonyms

    • N4-Acetylcytidine
    • N-Acetylcytidine
    • 3768-18-1
    • Acetylcytidine
    • N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
    • DTXSID40958718
    • N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide
    • N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
    • N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2-oxopyrimidin-4-yl)acetamide
    • RefChem:831612
    • DTXCID301386616
    • 223-195-6
    • Cytidine, N-acetyl-
    • 4-Acetyl-1-(beta-D-ribofuranosyl)cytosine
    • MFCD00006540
    • C11H15N3O6
    • n(4)-acetylcytidine
    • N4-Acetyl-D-cytidine
    • N-4-Acetylcytidine
    • N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
    • N-Acetylcytidine; 4-Acetylcytidine;
    • 4-Acetylcytidine; N4-Acetylcytidine
    • n-acetyl-Cytidine
    • n4-acetyl-cytidine
    • N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide
    • Ac-rC
    • EINECS 223-195-6
    • N4 -Acetylcytidine
    • 4-N-acetyl-cytidine
    • A1EHT
    • N4-Acetylcytidine, >=98%
    • SCHEMBL453447
    • CHEBI:70989
    • GLXC-25091
    • n4-Acetylcytidine;n-acetylcytidine
    • AKOS015896940
    • HY-W019670
    • NA05753
    • AC-32170
    • AS-12329
    • BP-58622
    • Cytidine Impurity 1 (N4-Acetylcytidine)
    • N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
    • SY067426
    • CS-0030784
    • 4-Acetyl-1-(beta-delta-ribofuranosyl)cytosine
    • C22293
    • F12709
    • 768A181
    • F080139
    • Q20890503
    • Acetamide, N-(1,2-dihydro-2-oxo-1-beta-D-ribofuranosyl-4-pyrimidinyl)
    • 3768-18-1

  • Applications

    N4-Acetylcytidine (CAS 3768-18-1) is mainly used as a research reagent and analytical standard in RNA modification studies. It serves as a reference compound for LC-MS/MS and chromatographic methods to detect and quantify modified nucleosides in tRNA and rRNA, supporting epitranscriptomic research. It is also used as an intermediate or building block in nucleoside chemistry for drug discovery and biotech research, enabling synthesis of modified nucleoside analogs and related research reagents. The compound may be employed in enzymatic assays or in vitro transcription studies to probe RNA acetylation pathways and the behavior of acetyltransferases on cytidine derivatives, under appropriate laboratory conditions. Applications are typically limited to laboratory research and formulation work, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.06
    methanol 19.25
    isopropanol 1.95
    water 71.83
    ethyl acetate 0.4
    n-propanol 2.59
    acetone 1.44
    n-butanol 2.09
    acetonitrile 1.93
    DMF 303.49
    toluene 0.1
    isobutanol 1.31
    1,4-dioxane 2.21
    methyl acetate 0.88
    THF 5.31
    2-butanone 1.63
    n-pentanol 1.07
    sec-butanol 1.76
    n-hexane 0.04
    ethylene glycol 19.86
    NMP 242.76
    cyclohexane 0.06
    DMSO 423.58
    n-butyl acetate 0.68
    n-octanol 0.56
    chloroform 0.3
    n-propyl acetate 0.62
    acetic acid 37.26
    dichloromethane 0.52
    cyclohexanone 5.91
    propylene glycol 22.43
    isopropyl acetate 0.31
    DMAc 189.07
    2-ethoxyethanol 18.88
    isopentanol 1.43
    n-heptane 0.08
    ethyl formate 2.7
    1,2-dichloroethane 0.47
    n-hexanol 0.86
    2-methoxyethanol 55.83
    isobutyl acetate 0.32
    tetrachloromethane 0.12
    n-pentyl acetate 0.52
    transcutol 12.62
    n-heptanol 0.83
    ethylbenzene 0.11
    MIBK 0.81
    2-propoxyethanol 10.45
    tert-butanol 1.62
    MTBE 0.27
    2-butoxyethanol 5.66
    propionic acid 6.36
    o-xylene 0.2
    formic acid 366.81
    diethyl ether 0.41
    m-xylene 0.14
    p-xylene 0.19
    chlorobenzene 0.1
    dimethyl carbonate 2.8
    n-octane 0.04
    formamide 315.94
    cyclopentanone 9.17
    2-pentanone 1.07
    anisole 0.41
    cyclopentyl methyl ether 1.33
    gamma-butyrolactone 17.58
    1-methoxy-2-propanol 22.38
    pyridine 2.5
    3-pentanone 1.05
    furfural 25.65
    n-dodecane 0.03
    diethylene glycol 26.02
    diisopropyl ether 0.1
    tert-amyl alcohol 1.64
    acetylacetone 1.75
    n-hexadecane 0.03
    acetophenone 1.39
    methyl propionate 1.71
    isopentyl acetate 0.72
    trichloroethylene 0.91
    n-nonanol 0.58
    cyclohexanol 1.63
    benzyl alcohol 1.44
    2-ethylhexanol 0.53
    isooctanol 0.6
    dipropyl ether 0.69
    1,2-dichlorobenzene 0.19
    ethyl lactate 4.14
    propylene carbonate 5.72
    n-methylformamide 97.9
    2-pentanol 0.85
    n-pentane 0.05
    1-propoxy-2-propanol 5.41
    1-methoxy-2-propyl acetate 2.24
    2-(2-methoxypropoxy) propanol 6.59
    mesitylene 0.12
    ε-caprolactone 6.48
    p-cymene 0.19
    epichlorohydrin 6.5
    1,1,1-trichloroethane 0.14
    2-aminoethanol 22.9
    morpholine-4-carbaldehyde 83.27
    sulfolane 78.14
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.5
    n-hexyl acetate 0.63
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.21
    sec-butyl acetate 0.3
    tert-butyl acetate 0.52
    decalin 0.03
    glycerin 83.51
    diglyme 13.62
    acrylic acid 14.28
    isopropyl myristate 0.28
    n-butyric acid 4.64
    acetyl acetate 0.45
    di(2-ethylhexyl) phthalate 0.98
    ethyl propionate 0.66
    nitromethane 50.05
    1,2-diethoxyethane 0.98
    benzonitrile 1.12
    trioctyl phosphate 0.72
    1-bromopropane 0.2
    gamma-valerolactone 38.37
    n-decanol 0.43
    triethyl phosphate 1.18
    4-methyl-2-pentanol 0.47
    propionitrile 1.32
    vinylene carbonate 6.24
    1,1,2-trichlorotrifluoroethane 34.11
    DMS 1.05
    cumene 0.1
    2-octanol 0.42
    2-hexanone 0.85
    octyl acetate 0.46
    limonene 0.27
    1,2-dimethoxyethane 12.23
    ethyl orthosilicate 0.91
    tributyl phosphate 0.84
    diacetone alcohol 4.63
    N,N-dimethylaniline 0.71
    acrylonitrile 3.54
    aniline 0.62
    1,3-propanediol 18.85
    bromobenzene 0.07
    dibromomethane 0.26
    1,1,2,2-tetrachloroethane 0.83
    2-methyl-cyclohexyl acetate 1.02
    tetrabutyl urea 2.02
    diisobutyl methanol 0.31
    2-phenylethanol 1.22
    styrene 0.09
    dioctyl adipate 0.78
    dimethyl sulfate 15.56
    ethyl butyrate 0.9
    methyl lactate 13.4
    butyl lactate 2.43
    diethyl carbonate 0.76
    propanediol butyl ether 6.52
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.34
    morpholine 7.38
    tert-butylamine 0.41
    n-dodecanol 0.3
    dimethoxymethane 14.42
    ethylene carbonate 3.68
    cyrene 18.79
    2-ethoxyethyl acetate 0.96
    2-ethylhexyl acetate 0.54
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 1.74
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.31
    DEF 9.36
    dimethyl isosorbide 9.96
    tetrachloroethylene 0.65
    eugenol 3.92
    triacetin 1.74
    span 80 4.19
    1,4-butanediol 7.64
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.81
    methyl formate 34.19
    2-methyl-1-butanol 1.46
    n-decane 0.05
    butyronitrile 1.14
    3,7-dimethyl-1-octanol 0.46
    1-chlorooctane 0.13
    1-chlorotetradecane 0.06
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 2.71
    tetrahydropyran 1.11
    tert-amyl methyl ether 0.5
    2,5,8-trioxanonane 10.47
    1-hexene 0.13
    2-isopropoxyethanol 5.23
    2,2,2-trifluoroethanol 27.78
    methyl butyrate 1.51

    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