Bisoctrizole

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  • Identifiers

    CAS number
    103597-45-1

    Molecular formula
    C41H50N6O2

    SMILES
    CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 53.89%
    Musk 41.15%
    Floral 37.93%
    Animal 33.9%
    Woody 28.07%
    Dry 28.05%
    Fatty 27.28%
    Amber 27.16%
    Rose 26.11%
    Vetiver 26.08%

     

    Flavor
    Bitter 57.68%
    Green pepper 20.4%
    Carrot 20.02%
    Musty 19.99%
    Cedarleaf 19.53%
    Syrup 19.39%
    Camphor 19.19%
    Parsley 19.03%
    Thymol 18.94%
    Bland 18.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.8

    pKa est.
    6.82 (neutral)

    Molecular weight
    658.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    347°C

    Melting point expt.

    • 195

    Flash point

    • 306.25 ˚C est.

    Solubility expt.

    • < 5 ng/L at 25 °C

  • Synonyms

    • Bisoctrizole
    • FAT 75'634
    • Bisoctrizole [USAN]
    • Bisoctrizol
    • 8NT850T0YS
    • NSC-759873
    • DTXSID2046703
    • BISOCTRIZOLE [MI]
    • FAT-75634
    • BISOCTRIZOLE [INN]
    • BISOCTRIZOLE [MART.]
    • BISOCTRIZOLE [USP-RS]
    • BISOCTRIZOLE [WHO-DD]
    • DTXCID0026703
    • BISOCTRIZOLE [USP MONOGRAPH]
    • 2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenol
    • Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
    • Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
    • BISOCTRIZOLE (MART.)
    • BISOCTRIZOLE (USP-RS)
    • BISOCTRIZOLE (USP MONOGRAPH)
    • 2,2'-METHYLENEBIS(6-(2-BENZOTRIAZOLYL)-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL
    • 2,2'-METHYLENEBIS(6-(2-BENZOTRIAZOLYL)-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL)
    • PHENOL, 2,2'-METHYLENEBIS(6-(2H-BENZOTRIALZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL)-
    • bisoctrizolum
    • Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl]-4-(1,1,3,3-tetramethylbutyl)-
    • 2-(2H-1,2,3-benzotriazol-2-yl)-6-((3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl)methyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    • RefChem:569536
    • From the skin Glutathione Collagen Sun Gel Patch
    • METHYLENE BIS-BENZOTRIAZOLYL TETRAMETHYLBUTYLPHENOL [INCI]
    • 2,2'-methylenebis(6-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • 921-481-1
    • METHYLENE BIS-BENZOTRIAZOLYL TETRAMETHYLBUTYLPHENOL
    • 103597-45-1
    • Tinosorb M
    • MBBT
    • UV-360
    • 2,2'-Methylenebis[6-(benzotriazol-2-yl)-4-tert-octylphenol]
    • UNII-8NT850T0YS
    • Bisoctrizole [USAN:USP:INN]
    • 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
    • UV 360
    • NSC 759873
    • NCGC00167544-01
    • EC 403-800-1
    • 2-(2-hydrobenzotriazol-2-yl)-6-{[3-(2-hydrobenzotriazol-2-yl)-2-hydroxy-5-(1,1 ,3,3-tetramethylbutyl)phenyl]methyl}-4-(1,1,3,3-tetramethylbutyl)phenol
    • Milestab-360
    • Tinuvin-360
    • Bisoctrizole (Standard)
    • Bisoctrizole (USP/INN)
    • SCHEMBL39191
    • orb1310706
    • CHEMBL2104957
    • SCHEMBL19610863
    • SCHEMBL29358089
    • SCHEMBL30113083
    • Bisoctrizole, analytical standard
    • HY-B0897R
    • MSK3426
    • CHEBI:135865
    • GLXC-23884
    • HMS3264F09
    • Pharmakon1600-01503866
    • HY-B0897
    • Tox21_112541
    • EBC-27416
    • MSK3426-100G
    • NSC759873
    • s4551
    • SBB057043
    • AKOS015895745
    • MSK3426-1000G
    • DB11262
    • UV-360 Solution in THF, 100ug/mL
    • NCGC00167544-02
    • 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
    • DA-61722
    • FU161855
    • SY057464
    • UV-360 Solution in THF, 1000ug/mL
    • CAS-103597-45-1
    • M1259
    • NS00004911
    • ST50994529
    • D03249
    • SBI-0653422.0001
    • AB01563348_01
    • EN300-19628345
    • SR-01000883719
    • Q4918369
    • SR-01000883719-1
    • BRD-K00228584-396-01-8
    • Bis[3-(benzotriazol-2-yl)-2-hydroxy-5-tert-octylphenyl]methane
    • Bisoctrizole, United States Pharmacopeia (USP) Reference Standard
    • 2,2'-methylene-bis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazol-2-yl-phenol]
    • 2,2'-methylenebis(6-(2Hbenzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol]
    • 2,2'-Methylenebis[6-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol]
    • 2,2'-Methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol], 99%
    • Bisoctrizole, Pharmaceutical Secondary Standard; Certified Reference Material
    • 403-800-1
    • 6,6'-Bis(2H-1,2,3-benzotriazol-2-yl)-4,4'-bis(2,4,4-trimethylpentan-2-yl)- 2,2'-methylenebiphenol
    • 6,6'-Methylenebis[2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethyl-2-pentyl)phenol]
    • 6,6\'-methylenebis(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol)
    • 103597-45-1

  • Applications

    Bisoctrizole (CAS 103597-45-1) is primarily used as a UV filter in cosmetics and personal care products, providing broad-spectrum protection in sunscreens, day creams, and makeup. It is also employed as a UV stabilizer in polymers and coatings to enhance photostability and reduce degradation under sunlight. In industrial manufacturing, it can be incorporated into coatings and printing inks to improve weather resistance. It may be used in packaging materials to limit UV-induced color changes and protect product integrity. It may be used as an additive in adhesives where UV stability is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.08
    methanol 6.11
    isopropanol 2.22
    water 0.05
    ethyl acetate 11.49
    n-propanol 4.97
    acetone 12.26
    n-butanol 3.29
    acetonitrile 5.14
    DMF 49.05
    toluene 3.82
    isobutanol 3.26
    1,4-dioxane 8.68
    methyl acetate 18.09
    THF 36.54
    2-butanone 18.23
    n-pentanol 3.3
    sec-butanol 3.52
    n-hexane 0.22
    ethylene glycol 2.33
    NMP 117.94
    cyclohexane 0.13
    DMSO 23.8
    n-butyl acetate 11.13
    n-octanol 2.23
    chloroform 75.84
    n-propyl acetate 11.29
    acetic acid 26.18
    dichloromethane 52.69
    cyclohexanone 21.2
    propylene glycol 5.04
    isopropyl acetate 7.23
    DMAc 80.25
    2-ethoxyethanol 12.33
    isopentanol 2.53
    n-heptane 0.26
    ethyl formate 12.21
    1,2-dichloroethane 17.7
    n-hexanol 2.65
    2-methoxyethanol 18.61
    isobutyl acetate 7.87
    tetrachloromethane 5.3
    n-pentyl acetate 12.46
    transcutol 26.89
    n-heptanol 3.16
    ethylbenzene 2.2
    MIBK 5.73
    2-propoxyethanol 18.69
    tert-butanol 2.07
    MTBE 3.25
    2-butoxyethanol 14.88
    propionic acid 17.22
    o-xylene 2.11
    formic acid 16.1
    diethyl ether 3.22
    m-xylene 2.07
    p-xylene 3.13
    chlorobenzene 11.99
    dimethyl carbonate 19.26
    n-octane 0.15
    formamide 16.68
    cyclopentanone 49.79
    2-pentanone 10.85
    anisole 7.15
    cyclopentyl methyl ether 9.95
    gamma-butyrolactone 80.1
    1-methoxy-2-propanol 16.4
    pyridine 23.04
    3-pentanone 10.9
    furfural 69.02
    n-dodecane 0.09
    diethylene glycol 10.82
    diisopropyl ether 0.88
    tert-amyl alcohol 3.51
    acetylacetone 18.28
    n-hexadecane 0.1
    acetophenone 13.93
    methyl propionate 19.36
    isopentyl acetate 9.24
    trichloroethylene 85.81
    n-nonanol 2.37
    cyclohexanol 2.52
    benzyl alcohol 7.92
    2-ethylhexanol 2.35
    isooctanol 2.67
    dipropyl ether 4.13
    1,2-dichlorobenzene 12.85
    ethyl lactate 11.7
    propylene carbonate 40.02
    n-methylformamide 25.95
    2-pentanol 2.11
    n-pentane 0.16
    1-propoxy-2-propanol 14.15
    1-methoxy-2-propyl acetate 19.72
    2-(2-methoxypropoxy) propanol 15.44
    mesitylene 0.8
    ε-caprolactone 30.13
    p-cymene 1.76
    epichlorohydrin 70.79
    1,1,1-trichloroethane 18.95
    2-aminoethanol 5.29
    morpholine-4-carbaldehyde 59.03
    sulfolane 98.6
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 15.61
    n-hexyl acetate 10.31
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 14.52
    sec-butyl acetate 7.15
    tert-butyl acetate 7.0
    decalin 0.17
    glycerin 10.74
    diglyme 26.48
    acrylic acid 25.18
    isopropyl myristate 2.89
    n-butyric acid 15.15
    acetyl acetate 9.94
    di(2-ethylhexyl) phthalate 6.02
    ethyl propionate 10.85
    nitromethane 53.54
    1,2-diethoxyethane 7.65
    benzonitrile 8.96
    trioctyl phosphate 3.64
    1-bromopropane 6.95
    gamma-valerolactone 81.05
    n-decanol 1.51
    triethyl phosphate 6.05
    4-methyl-2-pentanol 1.35
    propionitrile 6.18
    vinylene carbonate 41.06
    1,1,2-trichlorotrifluoroethane 83.7
    DMS 17.14
    cumene 1.5
    2-octanol 2.12
    2-hexanone 10.61
    octyl acetate 4.91
    limonene 2.04
    1,2-dimethoxyethane 15.19
    ethyl orthosilicate 5.03
    tributyl phosphate 4.89
    diacetone alcohol 11.92
    N,N-dimethylaniline 5.53
    acrylonitrile 12.24
    aniline 7.33
    1,3-propanediol 5.82
    bromobenzene 11.35
    dibromomethane 21.78
    1,1,2,2-tetrachloroethane 54.92
    2-methyl-cyclohexyl acetate 8.35
    tetrabutyl urea 6.82
    diisobutyl methanol 1.12
    2-phenylethanol 7.71
    styrene 2.59
    dioctyl adipate 6.36
    dimethyl sulfate 47.67
    ethyl butyrate 8.79
    methyl lactate 22.02
    butyl lactate 16.1
    diethyl carbonate 6.36
    propanediol butyl ether 12.95
    triethyl orthoformate 7.69
    p-tert-butyltoluene 1.56
    methyl 4-tert-butylbenzoate 15.45
    morpholine 14.65
    tert-butylamine 0.84
    n-dodecanol 0.95
    dimethoxymethane 22.95
    ethylene carbonate 23.5
    cyrene 26.92
    2-ethoxyethyl acetate 22.4
    2-ethylhexyl acetate 8.22
    1,2,4-trichlorobenzene 22.28
    4-methylpyridine 18.81
    dibutyl ether 2.53
    2,6-dimethyl-4-heptanol 1.12
    DEF 17.95
    dimethyl isosorbide 33.52
    tetrachloroethylene 29.93
    eugenol 17.36
    triacetin 18.91
    span 80 12.86
    1,4-butanediol 2.83
    1,1-dichloroethane 17.51
    2-methyl-1-pentanol 3.11
    methyl formate 24.62
    2-methyl-1-butanol 3.66
    n-decane 0.19
    butyronitrile 4.57
    3,7-dimethyl-1-octanol 2.01
    1-chlorooctane 1.42
    1-chlorotetradecane 0.42
    n-nonane 0.17
    undecane 0.13
    tert-butylcyclohexane 0.19
    cyclooctane 0.07
    cyclopentanol 5.66
    tetrahydropyran 6.31
    tert-amyl methyl ether 4.38
    2,5,8-trioxanonane 16.5
    1-hexene 1.14
    2-isopropoxyethanol 8.62
    2,2,2-trifluoroethanol 18.35
    methyl butyrate 14.03

    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