Iscotrizinol

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  • Identifiers

    CAS number
    154702-15-5

    Molecular formula
    C44H59N7O5

    SMILES
    CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)NC(C)(C)C)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Grape 42.48%
    Fruity 35.79%
    Citrus 31.48%
    Odorless 29.25%
    Grapefruit 28.8%
    Floral 28.75%
    Animal 28.06%
    Cooling 26.18%
    Savory 25.51%
    Fresh 24.75%

     

    Flavor
    Bitter 61.17%
    Odorless 29.82%
    Bland 28.55%
    Herbal 24.26%
    Mild 23.1%
    Cedarleaf 19.87%
    Heather 19.6%
    Parsley 19.22%
    Green pepper 19.19%
    Genet 19.11%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    6.97 (neutral)

    Molecular weight
    766.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2726°C

    Flash point

    • 276.72 ˚C est.

  • Synonyms

    • ISCOTRIZINOL
    • 154702-15-5
    • DIETHYLHEXYL BUTAMIDO TRIAZONE
    • Uvasorb HEB
    • 2UTZ0QC864
    • DTXSID40870027
    • bis(2-Ethylhexyl) 4,4'-((6-((4-(tert-butylcarbamoyl)phenyl]amino)-1,3,5-triazine-2,4-diyl)diimino)dibenzoate
    • BIS(2-ETHYLHEXYL) 4,4'-((6-((4-(TERT-BUTYLCARBAMOYL)PHENYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)DIBENZOATE
    • RefChem:791506
    • DTXCID50817887
    • 2-ethylhexyl 4-((4-((4-(tert-butylcarbamoyl)phenyl)amino)-6-((4-(((2-ethylhexyl)oxy)carbonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)benzoate
    • 421-450-8
    • Benzoic acid, 4,4'-((6-((4-(((1,1-dimethylethyl)amino)carbonyl)phenyl)amino)-1,3,5-triazine-2,4-diyl)diimino)bis-, 1,1'-bis(2-ethylhexyl) ester
    • Iscotrizinol [USAN]
    • 2-ethylhexyl 4-[[4-[4-(tert-butylcarbamoyl)anilino]-6-[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
    • DIETHYLHEXYL BUTAMIDO TRIAZONE (INCI)
    • Iscotrizinol (USAN)
    • UNII-2UTZ0QC864
    • Bis(2-ethylhexyl) 4,4'-((6-((4-(tert-butylcarbamoyl)phenyl)amino)-1,3,5-triazine-2,4-diyl)bis(azanediyl))dibenzoate
    • C44H59N7O5
    • INCI
    • starbld0009715
    • ISCOTRIZINOL [MI]
    • EC 421-450-8
    • ISCOTRIZINOL [MART.]
    • ISCOTRIZINOL [USP-RS]
    • ISCOTRIZINOL [WHO-DD]
    • SCHEMBL275583
    • CHEMBL2103813
    • Iscotrizinol, analytical standard
    • MSK3446
    • EGA70215
    • MFCD22200846
    • MSK3446-100A
    • MSK3446-1000A
    • DB15468
    • SB73648
    • Bis(2-ethylhexyl) 4,4'-(6-(4-tert-butylcarbamoyl)anilino)-1,3,5-triazine-2,4-diyldiimino)dibenzoate
    • NS00006296
    • D09714
    • G79216
    • Iscotrizinol Solution in Acetonitrile, 100ug/mL
    • Iscotrizinol Solution in Acetonitrile, 1000ug/mL
    • Q6079473
    • Iscotrizinol, United States Pharmacopeia (USP) Reference Standard
    • 4,4 inverted exclamation marka-[[6-[[4-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bisbenzoic acid, bis(2-ethylhexyl) ester
    • BENZOIC ACID, 4,4'-((6-((4-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)PHENYL)AMINO)- 1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)BIS-, BIS(2-ETHYLHEXYL) ESTER
    • Benzoic acid, 4,4'-((6-((4-(((1,1-dimethylethyl)amino)carbonyl)phenyl)amino)-1,3,5-triazine-2,4-diyl)diimino)bis-, bis(2-ethylhexyl) ester
    • BIS(2-ETHYLHEXYL) 4,4'-((6-((4-(TERT-BUTYLCARBAMOYL)PHENYL)AMINO)-1,3,5- TRIAZINE-2,4-DIYL)DIIMINO)DIBENZOATE
    • Bis(2-ethylhexyl) 4,4'-[{6-[4-(tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyl}bis(azanediyl)]dibenzoate
    • 154702-15-5

  • Applications

    Iscotrizinol (CAS 154702-15-5) is a photostable UV absorber used primarily in cosmetics and personal care as a broad-spectrum UV filter in sunscreens, day creams, foundations, and color cosmetics; it may also be used as a UV stabilizer additive in polymers and plastics to improve outdoor UV resistance of packaging materials and other polymer substrates; in coatings and inks, it can be added to enhance UV stability and color longevity; in adhesives, it may be incorporated to improve UV resistance of bond lines and laminated assemblies; and in electronics-related applications, it may be evaluated for protecting external housings or optical surfaces from UV degradation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.41
    methanol 14.12
    isopropanol 7.1
    water 0.16
    ethyl acetate 8.87
    n-propanol 13.32
    acetone 20.86
    n-butanol 9.22
    acetonitrile 5.83
    DMF 29.0
    toluene 10.55
    isobutanol 8.76
    1,4-dioxane 13.18
    methyl acetate 13.55
    THF 39.5
    2-butanone 29.21
    n-pentanol 10.16
    sec-butanol 10.64
    n-hexane 0.54
    ethylene glycol 3.86
    NMP 88.09
    cyclohexane 0.51
    DMSO 19.8
    n-butyl acetate 7.0
    n-octanol 3.36
    chloroform 66.36
    n-propyl acetate 9.12
    acetic acid 33.18
    dichloromethane 45.41
    cyclohexanone 39.48
    propylene glycol 9.84
    isopropyl acetate 5.56
    DMAc 69.53
    2-ethoxyethanol 17.71
    isopentanol 6.25
    n-heptane 0.37
    ethyl formate 9.91
    1,2-dichloroethane 20.2
    n-hexanol 4.86
    2-methoxyethanol 19.83
    isobutyl acetate 5.65
    tetrachloromethane 7.94
    n-pentyl acetate 10.39
    transcutol 21.99
    n-heptanol 4.73
    ethylbenzene 3.47
    MIBK 6.81
    2-propoxyethanol 15.62
    tert-butanol 5.16
    MTBE 4.13
    2-butoxyethanol 14.67
    propionic acid 22.59
    o-xylene 5.15
    formic acid 19.07
    diethyl ether 4.91
    m-xylene 4.86
    p-xylene 5.66
    chlorobenzene 13.53
    dimethyl carbonate 9.44
    n-octane 0.22
    formamide 19.82
    cyclopentanone 54.98
    2-pentanone 15.41
    anisole 5.49
    cyclopentyl methyl ether 11.28
    gamma-butyrolactone 51.77
    1-methoxy-2-propanol 16.99
    pyridine 32.54
    3-pentanone 16.28
    furfural 39.33
    n-dodecane 0.16
    diethylene glycol 9.4
    diisopropyl ether 1.01
    tert-amyl alcohol 8.0
    acetylacetone 15.78
    n-hexadecane 0.18
    acetophenone 11.52
    methyl propionate 15.32
    isopentyl acetate 5.99
    trichloroethylene 61.73
    n-nonanol 3.58
    cyclohexanol 9.4
    benzyl alcohol 12.54
    2-ethylhexanol 2.83
    isooctanol 3.58
    dipropyl ether 3.16
    1,2-dichlorobenzene 10.08
    ethyl lactate 7.91
    propylene carbonate 20.54
    n-methylformamide 20.42
    2-pentanol 5.67
    n-pentane 0.52
    1-propoxy-2-propanol 11.94
    1-methoxy-2-propyl acetate 9.17
    2-(2-methoxypropoxy) propanol 9.88
    mesitylene 1.99
    ε-caprolactone 31.69
    p-cymene 1.76
    epichlorohydrin 46.34
    1,1,1-trichloroethane 20.39
    2-aminoethanol 9.85
    morpholine-4-carbaldehyde 33.23
    sulfolane 59.79
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 19.62
    n-hexyl acetate 8.57
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 12.36
    sec-butyl acetate 5.34
    tert-butyl acetate 5.39
    decalin 0.3
    glycerin 14.04
    diglyme 16.93
    acrylic acid 25.65
    isopropyl myristate 2.44
    n-butyric acid 18.39
    acetyl acetate 6.08
    di(2-ethylhexyl) phthalate 5.41
    ethyl propionate 6.74
    nitromethane 29.22
    1,2-diethoxyethane 6.98
    benzonitrile 10.08
    trioctyl phosphate 3.42
    1-bromopropane 10.29
    gamma-valerolactone 67.3
    n-decanol 2.32
    triethyl phosphate 3.54
    4-methyl-2-pentanol 2.63
    propionitrile 7.91
    vinylene carbonate 21.15
    1,1,2-trichlorotrifluoroethane 52.59
    DMS 8.89
    cumene 2.04
    2-octanol 3.25
    2-hexanone 14.99
    octyl acetate 4.15
    limonene 2.09
    1,2-dimethoxyethane 14.4
    ethyl orthosilicate 3.23
    tributyl phosphate 3.68
    diacetone alcohol 11.98
    N,N-dimethylaniline 4.64
    acrylonitrile 11.52
    aniline 15.07
    1,3-propanediol 11.09
    bromobenzene 12.33
    dibromomethane 25.98
    1,1,2,2-tetrachloroethane 49.13
    2-methyl-cyclohexyl acetate 5.52
    tetrabutyl urea 5.81
    diisobutyl methanol 1.24
    2-phenylethanol 8.02
    styrene 4.19
    dioctyl adipate 4.64
    dimethyl sulfate 18.53
    ethyl butyrate 5.13
    methyl lactate 14.27
    butyl lactate 11.98
    diethyl carbonate 3.29
    propanediol butyl ether 14.21
    triethyl orthoformate 4.61
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 10.65
    morpholine 21.56
    tert-butylamine 2.18
    n-dodecanol 1.51
    dimethoxymethane 16.05
    ethylene carbonate 14.71
    cyrene 19.13
    2-ethoxyethyl acetate 15.35
    2-ethylhexyl acetate 5.2
    1,2,4-trichlorobenzene 17.67
    4-methylpyridine 24.41
    dibutyl ether 2.62
    2,6-dimethyl-4-heptanol 1.24
    DEF 17.46
    dimethyl isosorbide 13.78
    tetrachloroethylene 31.77
    eugenol 10.71
    triacetin 12.01
    span 80 11.08
    1,4-butanediol 7.47
    1,1-dichloroethane 21.79
    2-methyl-1-pentanol 7.83
    methyl formate 15.79
    2-methyl-1-butanol 8.94
    n-decane 0.3
    butyronitrile 6.82
    3,7-dimethyl-1-octanol 2.48
    1-chlorooctane 1.59
    1-chlorotetradecane 0.57
    n-nonane 0.26
    undecane 0.21
    tert-butylcyclohexane 0.28
    cyclooctane 0.2
    cyclopentanol 15.61
    tetrahydropyran 12.45
    tert-amyl methyl ether 5.06
    2,5,8-trioxanonane 10.66
    1-hexene 2.63
    2-isopropoxyethanol 12.08
    2,2,2-trifluoroethanol 16.49
    methyl butyrate 9.66

    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