Sintofen

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  • Identifiers

    CAS number
    130561-48-7

    Molecular formula
    C18H15ClN2O5

    SMILES
    COCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Grape 45.71%
    Odorless 41.15%
    Floral 37.44%
    Fruity 35.97%
    Neroli 35.19%
    Sweet 32.27%
    Powdery 27.22%
    Honey 24.1%
    Vanilla 23.87%
    Animal 23.71%

     

    Flavor
    Bitter 81.55%
    Odorless 38.73%
    Mild 26.81%
    Bland 22.66%
    Orange flower 20.85%
    Orange blossom 20.26%
    Sweet-like 20.18%
    Ethyl benzoate 19.69%
    Petitgrain 19.47%
    Nitrile 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.23 (weak acid)

    Molecular weight
    374.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    687°C

    Flash point

    • 248.13 ˚C est.

  • Synonyms

    • 130561-48-7
    • Cintofen
    • Sintofen
    • 3-Cinnolinecarboxylic acid, 1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-
    • Sintofen [ISO]
    • CROISOR
    • 1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid
    • Croisor 100
    • GV4LS2L3UC
    • CHEBI:133130
    • 1-(p-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid
    • 1-(p-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid
    • 1-(p-chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
    • RefChem:886357
    • SC 2053
    • 1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
    • 1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid
    • C18H15ClN2O5
    • MFCD28556890
    • SCHEMBL124027
    • DTXSID701020179
    • FFA56148
    • MSK160882
    • 1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-cinnoline-3-carboxylic Acid
    • AKOS026745427
    • 1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid
    • Sintofen 100 microg/mL in Acetonitrile
    • AS-74066
    • A12000
    • 1-(4'-chlorophenyl)-1,4-dihydro-5-methoxyethoxy-4-oxo-cinnoline-3-carboxylic acid
    • 130561-48-7

  • Applications

    Sintofen (CAS 130561-48-7) is used primarily as an intermediate in organic synthesis and as a processing aid in formulated industrial products. In practice it may serve as a solvent or co-solvent in coatings, inks, and adhesive formulations, aiding dissolution and processing; it can function as a processing additive such as a plasticizer or stabilizer in certain polymer systems to improve flexibility or thermal performance; it is sometimes evaluated for use in perfumery and cosmetics as a fragrance solvent, odor carrier, or fixative; and it may appear as a component in cleaning formulations and industrial formulation concentrates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.72
    methanol 5.12
    isopropanol 2.89
    water 0.02
    ethyl acetate 4.35
    n-propanol 5.08
    acetone 11.93
    n-butanol 3.16
    acetonitrile 5.6
    DMF 65.07
    toluene 0.78
    isobutanol 3.08
    1,4-dioxane 5.38
    methyl acetate 8.97
    THF 32.72
    2-butanone 13.01
    n-pentanol 2.58
    sec-butanol 3.58
    n-hexane 0.02
    ethylene glycol 8.75
    NMP 117.97
    cyclohexane 0.05
    DMSO 108.02
    n-butyl acetate 3.58
    n-octanol 0.51
    chloroform 7.83
    n-propyl acetate 4.78
    acetic acid 32.65
    dichloromethane 14.19
    cyclohexanone 20.83
    propylene glycol 11.07
    isopropyl acetate 2.72
    DMAc 117.99
    2-ethoxyethanol 18.68
    isopentanol 2.69
    n-heptane 0.04
    ethyl formate 6.04
    1,2-dichloroethane 9.11
    n-hexanol 1.21
    2-methoxyethanol 42.42
    isobutyl acetate 2.4
    tetrachloromethane 0.5
    n-pentyl acetate 2.32
    transcutol 50.37
    n-heptanol 1.06
    ethylbenzene 0.41
    MIBK 3.13
    2-propoxyethanol 15.5
    tert-butanol 2.33
    MTBE 0.98
    2-butoxyethanol 8.33
    propionic acid 14.32
    o-xylene 0.71
    formic acid 24.27
    diethyl ether 0.84
    m-xylene 0.56
    p-xylene 0.75
    chlorobenzene 1.95
    dimethyl carbonate 10.69
    n-octane 0.02
    formamide 41.19
    cyclopentanone 45.07
    2-pentanone 5.65
    anisole 2.28
    cyclopentyl methyl ether 4.72
    gamma-butyrolactone 55.55
    1-methoxy-2-propanol 23.86
    pyridine 12.56
    3-pentanone 5.16
    furfural 40.01
    n-dodecane 0.02
    diethylene glycol 22.67
    diisopropyl ether 0.2
    tert-amyl alcohol 2.91
    acetylacetone 11.51
    n-hexadecane 0.03
    acetophenone 6.81
    methyl propionate 10.27
    isopentyl acetate 3.41
    trichloroethylene 27.51
    n-nonanol 0.65
    cyclohexanol 3.74
    benzyl alcohol 6.58
    2-ethylhexanol 1.08
    isooctanol 1.04
    dipropyl ether 1.17
    1,2-dichlorobenzene 2.28
    ethyl lactate 9.03
    propylene carbonate 19.06
    n-methylformamide 29.11
    2-pentanol 1.39
    n-pentane 0.02
    1-propoxy-2-propanol 9.53
    1-methoxy-2-propyl acetate 10.15
    2-(2-methoxypropoxy) propanol 13.75
    mesitylene 0.32
    ε-caprolactone 19.57
    p-cymene 0.66
    epichlorohydrin 52.79
    1,1,1-trichloroethane 2.78
    2-aminoethanol 11.09
    morpholine-4-carbaldehyde 60.09
    sulfolane 108.14
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 9.47
    n-hexyl acetate 2.15
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 15.15
    sec-butyl acetate 2.62
    tert-butyl acetate 3.21
    decalin 0.05
    glycerin 30.62
    diglyme 30.33
    acrylic acid 20.94
    isopropyl myristate 1.09
    n-butyric acid 10.46
    acetyl acetate 4.26
    di(2-ethylhexyl) phthalate 3.31
    ethyl propionate 4.25
    nitromethane 54.02
    1,2-diethoxyethane 4.07
    benzonitrile 4.91
    trioctyl phosphate 1.91
    1-bromopropane 1.8
    gamma-valerolactone 59.58
    n-decanol 0.53
    triethyl phosphate 4.03
    4-methyl-2-pentanol 0.87
    propionitrile 4.7
    vinylene carbonate 16.37
    1,1,2-trichlorotrifluoroethane 75.12
    DMS 7.31
    cumene 0.38
    2-octanol 0.47
    2-hexanone 5.05
    octyl acetate 1.65
    limonene 0.83
    1,2-dimethoxyethane 17.89
    ethyl orthosilicate 3.05
    tributyl phosphate 2.65
    diacetone alcohol 11.76
    N,N-dimethylaniline 2.45
    acrylonitrile 10.82
    aniline 4.64
    1,3-propanediol 13.79
    bromobenzene 1.46
    dibromomethane 4.58
    1,1,2,2-tetrachloroethane 17.93
    2-methyl-cyclohexyl acetate 4.37
    tetrabutyl urea 4.42
    diisobutyl methanol 0.71
    2-phenylethanol 4.72
    styrene 0.56
    dioctyl adipate 3.84
    dimethyl sulfate 35.42
    ethyl butyrate 3.96
    methyl lactate 22.59
    butyl lactate 6.55
    diethyl carbonate 3.77
    propanediol butyl ether 8.89
    triethyl orthoformate 3.75
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 7.95
    morpholine 14.29
    tert-butylamine 0.65
    n-dodecanol 0.41
    dimethoxymethane 19.82
    ethylene carbonate 11.59
    cyrene 24.55
    2-ethoxyethyl acetate 6.25
    2-ethylhexyl acetate 2.57
    1,2,4-trichlorobenzene 5.15
    4-methylpyridine 8.93
    dibutyl ether 0.63
    2,6-dimethyl-4-heptanol 0.71
    DEF 14.23
    dimethyl isosorbide 26.05
    tetrachloroethylene 8.71
    eugenol 10.21
    triacetin 8.69
    span 80 8.98
    1,4-butanediol 5.29
    1,1-dichloroethane 3.45
    2-methyl-1-pentanol 2.53
    methyl formate 20.19
    2-methyl-1-butanol 3.31
    n-decane 0.03
    butyronitrile 2.94
    3,7-dimethyl-1-octanol 0.84
    1-chlorooctane 0.2
    1-chlorotetradecane 0.11
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.02
    cyclopentanol 8.35
    tetrahydropyran 3.56
    tert-amyl methyl ether 1.31
    2,5,8-trioxanonane 22.74
    1-hexene 0.18
    2-isopropoxyethanol 9.34
    2,2,2-trifluoroethanol 14.76
    methyl butyrate 6.9

    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