1-(2,7-Naphthyridin-3-yl)ethanone

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  • Identifiers

    CAS number
    73607-00-8

    Molecular formula
    C10H8N2O

    SMILES
    CC(=O)C1=NC=C2C=NC=CC2=C1

    Safety labels

  • Odor profile

    Fragrance
    Nutty 72.82%
    Roasted 61.33%
    Popcorn 57.64%
    Burnt 43.44%
    Musty 42.49%
    Hazelnut 40.3%
    Coffee 34.58%
    Sweet 33.11%
    Tobacco 32.48%
    Caramellic 32.02%

     

    Flavor
    Bitter 64.96%
    Nutty 49.9%
    Popcorn 44.92%
    Corn 39.93%
    Roasted 34.5%
    Chip 34.48%
    Roast 33.49%
    Chocolate 30.78%
    Hazelnut 30.33%
    Nut 27.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.13 (weak acid)

    Molecular weight
    172.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 165.21 ˚C est.

  • Synonyms

    • 3-Acetyl-2,7-naphthyridine
    • Naphthyridylmethylketone
    • 1-(2,7-naphthyridin-3-yl)ethanone
    • 73607-00-8
    • 2,7-Naphthyridine-3-methylketone
    • JZ8VZ66FZA
    • 1-(2,7-naphthyridin-3-yl)ethan-1-one
    • Ethanone, 1-(2,7-naphthyridin-3-yl)-
    • DTXSID20223794
    • RefChem:907177
    • DTXCID50146285
    • 1-[2,7]naphthyridin-3-yl-ethanone
    • CHEBI:172424
    • YCA60700
    • 1-(2,7-Naphthyridin-3-yl)-Ethanone
    • 1-(2,7-Naphthyridin-3-yl)ethanone, 9CI
    • 73607-00-8

  • Applications

    Chemical name: 1-(2,7-Naphthyridin-3-yl)ethanone (CAS 73607-00-8) is primarily used as a synthetic intermediate and building block in pharmaceutical research, enabling the construction of heteroaromatic compounds with a naphthyridine core; in medicinal chemistry, it supports library generation and exploration of structure–activity relationships (SAR) by providing a versatile scaffold; in chemical research settings, it serves as a reference starting material for preparing related nitrogen-containing heterocycles; in coordination chemistry and materials science, it is investigated as a ligand or precursor for functional materials in academic and industrial laboratories. These applications reflect conservative expectations and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.68
    methanol 5.38
    isopropanol 3.53
    water 0.19
    ethyl acetate 10.1
    n-propanol 4.26
    acetone 9.57
    n-butanol 4.14
    acetonitrile 13.01
    DMF 33.77
    toluene 6.42
    isobutanol 4.34
    1,4-dioxane 15.44
    methyl acetate 11.09
    THF 27.43
    2-butanone 13.28
    n-pentanol 5.29
    sec-butanol 3.98
    n-hexane 0.19
    ethylene glycol 2.1
    NMP 37.74
    cyclohexane 0.29
    DMSO 45.03
    n-butyl acetate 12.41
    n-octanol 2.57
    chloroform 12.33
    n-propyl acetate 11.18
    acetic acid 14.13
    dichloromethane 36.09
    cyclohexanone 23.64
    propylene glycol 1.35
    isopropyl acetate 5.85
    DMAc 52.49
    2-ethoxyethanol 16.23
    isopentanol 6.33
    n-heptane 0.55
    ethyl formate 14.98
    1,2-dichloroethane 25.19
    n-hexanol 6.66
    2-methoxyethanol 20.68
    isobutyl acetate 6.49
    tetrachloromethane 2.38
    n-pentyl acetate 7.3
    transcutol 79.56
    n-heptanol 4.37
    ethylbenzene 5.12
    MIBK 6.98
    2-propoxyethanol 18.75
    tert-butanol 7.25
    MTBE 3.53
    2-butoxyethanol 14.29
    propionic acid 6.76
    o-xylene 8.05
    formic acid 12.69
    diethyl ether 2.9
    m-xylene 6.93
    p-xylene 8.9
    chlorobenzene 10.66
    dimethyl carbonate 5.06
    n-octane 0.2
    formamide 25.38
    cyclopentanone 25.34
    2-pentanone 8.17
    anisole 11.81
    cyclopentyl methyl ether 9.75
    gamma-butyrolactone 39.15
    1-methoxy-2-propanol 10.66
    pyridine 34.21
    3-pentanone 7.19
    furfural 63.11
    n-dodecane 0.2
    diethylene glycol 17.92
    diisopropyl ether 1.41
    tert-amyl alcohol 6.51
    acetylacetone 13.51
    n-hexadecane 0.23
    acetophenone 17.97
    methyl propionate 8.87
    isopentyl acetate 11.79
    trichloroethylene 43.56
    n-nonanol 2.94
    cyclohexanol 5.52
    benzyl alcohol 14.48
    2-ethylhexanol 6.46
    isooctanol 4.6
    dipropyl ether 5.66
    1,2-dichlorobenzene 13.09
    ethyl lactate 7.16
    propylene carbonate 19.66
    n-methylformamide 17.25
    2-pentanol 2.43
    n-pentane 0.15
    1-propoxy-2-propanol 12.12
    1-methoxy-2-propyl acetate 14.05
    2-(2-methoxypropoxy) propanol 19.69
    mesitylene 3.67
    ε-caprolactone 25.1
    p-cymene 6.06
    epichlorohydrin 58.81
    1,1,1-trichloroethane 10.08
    2-aminoethanol 3.7
    morpholine-4-carbaldehyde 48.45
    sulfolane 42.33
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 18.01
    n-hexyl acetate 7.68
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 22.62
    sec-butyl acetate 6.67
    tert-butyl acetate 7.28
    decalin 0.58
    glycerin 5.19
    diglyme 54.06
    acrylic acid 7.86
    isopropyl myristate 3.47
    n-butyric acid 10.3
    acetyl acetate 7.32
    di(2-ethylhexyl) phthalate 7.43
    ethyl propionate 9.55
    nitromethane 31.62
    1,2-diethoxyethane 14.43
    benzonitrile 21.87
    trioctyl phosphate 4.14
    1-bromopropane 7.07
    gamma-valerolactone 46.45
    n-decanol 2.47
    triethyl phosphate 9.73
    4-methyl-2-pentanol 2.92
    propionitrile 11.03
    vinylene carbonate 20.2
    1,1,2-trichlorotrifluoroethane 27.29
    DMS 9.4
    cumene 4.98
    2-octanol 2.44
    2-hexanone 11.41
    octyl acetate 4.53
    limonene 6.04
    1,2-dimethoxyethane 39.02
    ethyl orthosilicate 8.99
    tributyl phosphate 5.57
    diacetone alcohol 13.23
    N,N-dimethylaniline 12.78
    acrylonitrile 18.7
    aniline 12.49
    1,3-propanediol 6.62
    bromobenzene 8.98
    dibromomethane 15.41
    1,1,2,2-tetrachloroethane 23.56
    2-methyl-cyclohexyl acetate 11.85
    tetrabutyl urea 9.16
    diisobutyl methanol 4.31
    2-phenylethanol 15.65
    styrene 4.8
    dioctyl adipate 7.22
    dimethyl sulfate 12.31
    ethyl butyrate 12.49
    methyl lactate 5.69
    butyl lactate 8.08
    diethyl carbonate 10.42
    propanediol butyl ether 8.48
    triethyl orthoformate 9.95
    p-tert-butyltoluene 4.45
    methyl 4-tert-butylbenzoate 15.96
    morpholine 18.12
    tert-butylamine 3.54
    n-dodecanol 2.05
    dimethoxymethane 14.14
    ethylene carbonate 15.51
    cyrene 22.97
    2-ethoxyethyl acetate 14.0
    2-ethylhexyl acetate 9.57
    1,2,4-trichlorobenzene 16.09
    4-methylpyridine 32.14
    dibutyl ether 3.86
    2,6-dimethyl-4-heptanol 4.31
    DEF 17.09
    dimethyl isosorbide 37.46
    tetrachloroethylene 17.97
    eugenol 18.55
    triacetin 11.01
    span 80 10.89
    1,4-butanediol 3.88
    1,1-dichloroethane 10.0
    2-methyl-1-pentanol 8.26
    methyl formate 14.11
    2-methyl-1-butanol 5.26
    n-decane 0.28
    butyronitrile 11.3
    3,7-dimethyl-1-octanol 4.02
    1-chlorooctane 1.65
    1-chlorotetradecane 0.85
    n-nonane 0.21
    undecane 0.24
    tert-butylcyclohexane 0.58
    cyclooctane 0.14
    cyclopentanol 6.33
    tetrahydropyran 9.03
    tert-amyl methyl ether 4.36
    2,5,8-trioxanonane 37.24
    1-hexene 1.41
    2-isopropoxyethanol 12.37
    2,2,2-trifluoroethanol 9.0
    methyl butyrate 15.37

    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