C.I. Pigment Yellow 115

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  • Identifiers

    CAS number
    68814-04-0

    Molecular formula
    C22H21FN6O4S

    SMILES
    COC1=C(C=CC(=C1)CS(=O)(=O)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.51%
    Grape 33.46%
    Fruity 31.94%
    Meaty 31.16%
    Cooked 30.83%
    Savory 29.21%
    Roasted 25.95%
    Milky 20.7%
    Fatty 19.7%
    Burnt 19.44%

     

    Flavor
    Bitter 86.84%
    Odorless 38.6%
    Bland 24.48%
    Mild 21.09%
    Nitrile 19.42%
    Sweet-like 19.05%
    Bread crust 18.85%
    Roasted peanuts 18.83%
    Taco 18.75%
    Very strong 18.64%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.98 (weak acid)

    Molecular weight
    484.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2812°C

    Flash point

    • 341.71 ˚C est.

  • Synonyms

    • 2-Fluoro-6-{[2-({2-Methoxy-4-[(Methylsulfonyl)methyl]phenyl}amino)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]amino}benzamide
    • DTXSID60920497
    • 2-fluoro-6-[(2-{[4-(methanesulfonylmethyl)-2-methoxyphenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
    • 2-fluoro-6-((2-((2-methoxy-4-((methylsulfonyl)methyl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)benzamide
    • 2-fluoro-6-((2-((4-(methanesulfonylmethyl)-2-methoxyphenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)benzamide
    • 2-Fluoro-6-[[2-[[2-methoxy-4-[(methylsulfonyl)methyl]phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
    • RefChem:572576
    • DTXCID001349405
    • 68814-04-0
    • 2-fluoro-6-[[2-[2-methoxy-4-(methylsulfonylmethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
    • 3elj
    • HBL3TSS9HJ
    • SCHEMBL21068043
    • SCHEMBL29395565
    • VGYXXQRDIVRILX-UHFFFAOYSA-N
    • DB07845
    • PD004958
    • NS00072397
    • Q27097055
    • 1123162-87-7
    • 2-Fluoro-6-[(2-{4-[(methanesulfonyl)methyl]-2-methoxyanilino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
    • Benzamide, 2-fluoro-6-[[2-[[2-methoxy-4-[(methylsulfonyl)methyl]phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-
    • 68814-04-0

  • Applications

    C.I. Pigment Yellow 115, CAS number: 68814-04-0, is primarily used as a colorant in coatings and paints for industrial and architectural formulations, and as a pigment in printing inks for packaging and graphic arts. It is also employed as a colorant in plastics and polymer systems, including masterbatches and molded parts based on PVC, polyolefins, and engineering resins, to impart durable yellow tones. In automotive coatings and associated plastic components, the pigment provides bright color and good lightfastness. It also may be used in rubber and vinyl formulations where a fast, vivid yellow color is required, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.49
    methanol 6.11
    isopropanol 0.72
    water 0.04
    ethyl acetate 0.61
    n-propanol 1.92
    acetone 3.59
    n-butanol 1.07
    acetonitrile 1.05
    DMF 30.51
    toluene 0.02
    isobutanol 0.69
    1,4-dioxane 0.98
    methyl acetate 1.7
    THF 5.45
    2-butanone 5.25
    n-pentanol 0.6
    sec-butanol 0.95
    n-hexane 0.0
    ethylene glycol 4.21
    NMP 41.72
    cyclohexane 0.0
    DMSO 42.97
    n-butyl acetate 0.52
    n-octanol 0.15
    chloroform 0.34
    n-propyl acetate 0.64
    acetic acid 12.54
    dichloromethane 0.44
    cyclohexanone 3.89
    propylene glycol 9.62
    isopropyl acetate 0.24
    DMAc 39.1
    2-ethoxyethanol 8.56
    isopentanol 0.49
    n-heptane 0.0
    ethyl formate 2.4
    1,2-dichloroethane 0.29
    n-hexanol 0.19
    2-methoxyethanol 29.75
    isobutyl acetate 0.21
    tetrachloromethane 0.03
    n-pentyl acetate 0.44
    transcutol 9.83
    n-heptanol 0.22
    ethylbenzene 0.01
    MIBK 0.42
    2-propoxyethanol 5.31
    tert-butanol 0.26
    MTBE 0.1
    2-butoxyethanol 3.33
    propionic acid 4.42
    o-xylene 0.02
    formic acid 19.83
    diethyl ether 0.2
    m-xylene 0.01
    p-xylene 0.02
    chlorobenzene 0.05
    dimethyl carbonate 0.88
    n-octane 0.0
    formamide 24.9
    cyclopentanone 9.48
    2-pentanone 1.74
    anisole 0.12
    cyclopentyl methyl ether 0.29
    gamma-butyrolactone 10.5
    1-methoxy-2-propanol 10.21
    pyridine 1.38
    3-pentanone 1.12
    furfural 10.4
    n-dodecane 0.0
    diethylene glycol 8.69
    diisopropyl ether 0.02
    tert-amyl alcohol 0.42
    acetylacetone 1.88
    n-hexadecane 0.0
    acetophenone 0.47
    methyl propionate 1.33
    isopentyl acetate 0.33
    trichloroethylene 0.77
    n-nonanol 0.16
    cyclohexanol 0.31
    benzyl alcohol 0.44
    2-ethylhexanol 0.1
    isooctanol 0.13
    dipropyl ether 0.16
    1,2-dichlorobenzene 0.04
    ethyl lactate 1.7
    propylene carbonate 2.75
    n-methylformamide 17.35
    2-pentanol 0.26
    n-pentane 0.0
    1-propoxy-2-propanol 2.51
    1-methoxy-2-propyl acetate 1.04
    2-(2-methoxypropoxy) propanol 3.63
    mesitylene 0.01
    ε-caprolactone 3.57
    p-cymene 0.01
    epichlorohydrin 5.73
    1,1,1-trichloroethane 0.09
    2-aminoethanol 7.35
    morpholine-4-carbaldehyde 18.1
    sulfolane 23.72
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.13
    n-hexyl acetate 0.41
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.66
    sec-butyl acetate 0.22
    tert-butyl acetate 0.19
    decalin 0.0
    glycerin 27.98
    diglyme 7.48
    acrylic acid 7.14
    isopropyl myristate 0.12
    n-butyric acid 3.0
    acetyl acetate 0.33
    di(2-ethylhexyl) phthalate 0.43
    ethyl propionate 0.51
    nitromethane 22.76
    1,2-diethoxyethane 0.62
    benzonitrile 0.31
    trioctyl phosphate 0.24
    1-bromopropane 0.12
    gamma-valerolactone 29.04
    n-decanol 0.11
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.09
    propionitrile 0.81
    vinylene carbonate 2.44
    1,1,2-trichlorotrifluoroethane 13.36
    DMS 0.48
    cumene 0.01
    2-octanol 0.1
    2-hexanone 1.13
    octyl acetate 0.25
    limonene 0.02
    1,2-dimethoxyethane 6.2
    ethyl orthosilicate 0.21
    tributyl phosphate 0.32
    diacetone alcohol 1.67
    N,N-dimethylaniline 0.08
    acrylonitrile 1.87
    aniline 0.18
    1,3-propanediol 7.89
    bromobenzene 0.02
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 0.55
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 0.74
    diisobutyl methanol 0.04
    2-phenylethanol 0.26
    styrene 0.02
    dioctyl adipate 0.48
    dimethyl sulfate 2.95
    ethyl butyrate 0.54
    methyl lactate 5.29
    butyl lactate 1.69
    diethyl carbonate 0.37
    propanediol butyl ether 4.24
    triethyl orthoformate 0.42
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.72
    morpholine 2.95
    tert-butylamine 0.05
    n-dodecanol 0.07
    dimethoxymethane 4.22
    ethylene carbonate 1.4
    cyrene 6.93
    2-ethoxyethyl acetate 1.23
    2-ethylhexyl acetate 0.22
    1,2,4-trichlorobenzene 0.09
    4-methylpyridine 0.59
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.04
    DEF 2.76
    dimethyl isosorbide 4.26
    tetrachloroethylene 0.29
    eugenol 1.57
    triacetin 1.17
    span 80 2.2
    1,4-butanediol 2.17
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.36
    methyl formate 8.51
    2-methyl-1-butanol 0.68
    n-decane 0.0
    butyronitrile 0.68
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.94
    tetrahydropyran 0.53
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 5.55
    1-hexene 0.03
    2-isopropoxyethanol 2.18
    2,2,2-trifluoroethanol 4.12
    methyl butyrate 1.23

    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