Octrizole

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  • Identifiers

    CAS number
    3147-75-9

    Molecular formula
    C20H25N3O

    SMILES
    CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 44.69%
    Musk 39.84%
    Animal 38.78%
    Floral 32.81%
    Leathery 32.28%
    Dry 29.32%
    Vetiver 27.94%
    Woody 27.82%
    Amber 27.72%
    Fatty 27.26%

     

    Flavor
    Bitter 38.82%
    Musty 25.24%
    Camphor 23.87%
    Green pepper 21.25%
    Carrot 20.69%
    Syrup 20.63%
    Earth 20.18%
    Creosote 20.13%
    Phenolic 19.66%
    Thymol 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    5.97 (weak acid)

    Molecular weight
    323.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 215.62 ˚C est.

  • Synonyms

    • OCTRIZOLE
    • 3147-75-9
    • 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
    • Tinuvin 329
    • Cyasorb 5411
    • 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • Cyasorb UV 5411
    • Sumisorb 340
    • 2-Benzotriazolyl-4-tert-octylphenol
    • Octrizol
    • Seesorb 709
    • Viosorb 583
    • Spectra-Sorb UV 5411
    • Octrizolum
    • Octrizol [INN-Spanish]
    • Octrizole [USAN:INN]
    • Octrizolum [INN-Latin]
    • UV Absorber-5
    • 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole
    • 2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole
    • Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
    • 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole
    • EINECS 221-573-5
    • 2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole
    • 2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole
    • 2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole
    • 2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole
    • DTXSID9027522
    • OCTRIZOLE [INN]
    • OCTRIZOLE [USAN]
    • 2-(2'-Hydroxy-5'-t-octylphenyl)benzotriazole
    • R775Y233N3
    • 2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole
    • DTXCID107522
    • EC 221-573-5
    • Octrizol (INN-Spanish)
    • Octrizolum (INN-Latin)
    • 221-573-5
    • 2-[2-Hydroxy-5-tert-octylphenyl]-2H-benzotriazole
    • 2-[2'-hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole
    • OCTRIZOLE [INCI]
    • RefChem:856064
    • 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    • 123307-21-1
    • 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    • MFCD00013338
    • UV-329
    • 52188-76-8
    • 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    • NCGC00164139-02
    • NCGC00164139-03
    • 2-benzotriazol-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
    • 2-(2H-benzotriazol-2-yl)-4-(1 pound not1 pound not3 pound not3-tetramethylbutyl)phenol
    • CAS-3147-75-9
    • 2-(2-hydrobenzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • UNII-R775Y233N3
    • Eversorb 72
    • Kemisorb 79
    • Chisorb 5411
    • Chisorb-5411
    • Uvinul 3029
    • Octrizole (USAN/INN)
    • UV-329 (octrizole)
    • 2-(2H-benzotriazol-2-yl)-4-tert-octylphenol
    • Oprea1_301042
    • SCHEMBL15508
    • MLS004773921
    • BIDD:ER0448
    • BIDD:GT0495
    • CHEMBL1886986
    • SCHEMBL29349945
    • JF 83
    • Tox21_112086
    • Tox21_201456
    • Tox21_300498
    • MSK160793
    • SBB056795
    • UV 329
    • AKOS000521006
    • Tox21_112086_1
    • CS-W009876
    • MSK160793-100A
    • UV 5411
    • MSK160793-1000A
    • NCGC00164139-01
    • NCGC00164139-04
    • NCGC00164139-05
    • NCGC00254486-01
    • NCGC00259007-01
    • AS-72774
    • SMR001595516
    • MSK160793-100
    • DB-048049
    • DB-260804
    • H0716
    • NS00008577
    • ST50233562
    • Octrizole Solution in Acetonitrile, 100?g/mL
    • Octrizole Solution in Acetonitrile, 100ug/mL
    • D05232
    • E78137
    • Octrizole Solution in Acetonitrile, 1000ug/mL
    • 2-(2'-hydroxy-5'-t-octyl phenyl) benzotriazol
    • A820874
    • F238746
    • BRD-K74282937-001-01-6
    • Q27287879
    • 2-(2'-hydroxy-5'-tert.-octylphenyl)-2H-benzotriazole
    • 2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • 2-(2-benzotriazolyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    • 6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • 2-((2H-benzotriazo)-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
    • 2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-phenol
    • 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol, 98%
    • 3147-75-9

  • Applications

    Octrizole (CAS 3147-75-9) is typically used as an intermediate in chemical synthesis and may serve as a solvent or processing aid in industrial formulations. Practical applications may include coatings and inks (as a solvent or thinning agent for paints and inks), adhesives (as a solvent or thinning agent for adhesives), cleaning formulations (as a solvent component in cleaning and degreasing products), and polymer/plastics processing (as a processing aid or solvent in plastic and polymer processing).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.07
    methanol 80.83
    isopropanol 39.85
    water 0.13
    ethyl acetate 114.98
    n-propanol 74.97
    acetone 118.49
    n-butanol 64.29
    acetonitrile 60.57
    DMF 324.18
    toluene 41.18
    isobutanol 63.9
    1,4-dioxane 83.21
    methyl acetate 128.39
    THF 349.34
    2-butanone 156.66
    n-pentanol 54.31
    sec-butanol 55.67
    n-hexane 3.68
    ethylene glycol 22.93
    NMP 388.55
    cyclohexane 2.47
    DMSO 142.07
    n-butyl acetate 126.61
    n-octanol 38.97
    chloroform 258.88
    n-propyl acetate 97.63
    acetic acid 109.67
    dichloromethane 222.97
    cyclohexanone 184.01
    propylene glycol 56.08
    isopropyl acetate 88.19
    DMAc 345.21
    2-ethoxyethanol 110.9
    isopentanol 63.09
    n-heptane 3.81
    ethyl formate 78.54
    1,2-dichloroethane 143.32
    n-hexanol 79.26
    2-methoxyethanol 197.64
    isobutyl acetate 91.91
    tetrachloromethane 17.32
    n-pentyl acetate 94.85
    transcutol 455.83
    n-heptanol 46.99
    ethylbenzene 25.37
    MIBK 92.42
    2-propoxyethanol 202.95
    tert-butanol 46.71
    MTBE 64.67
    2-butoxyethanol 121.14
    propionic acid 90.31
    o-xylene 24.92
    formic acid 59.1
    diethyl ether 48.11
    m-xylene 37.31
    p-xylene 38.24
    chlorobenzene 87.84
    dimethyl carbonate 92.02
    n-octane 2.01
    formamide 79.22
    cyclopentanone 307.79
    2-pentanone 130.06
    anisole 79.32
    cyclopentyl methyl ether 141.06
    gamma-butyrolactone 351.44
    1-methoxy-2-propanol 176.98
    pyridine 130.96
    3-pentanone 98.82
    furfural 261.91
    n-dodecane 1.69
    diethylene glycol 137.13
    diisopropyl ether 20.14
    tert-amyl alcohol 63.3
    acetylacetone 151.23
    n-hexadecane 1.96
    acetophenone 110.93
    methyl propionate 148.25
    isopentyl acetate 131.43
    trichloroethylene 356.26
    n-nonanol 37.65
    cyclohexanol 53.46
    benzyl alcohol 76.0
    2-ethylhexanol 53.89
    isooctanol 43.47
    dipropyl ether 46.22
    1,2-dichlorobenzene 87.4
    ethyl lactate 77.97
    propylene carbonate 215.74
    n-methylformamide 142.96
    2-pentanol 43.5
    n-pentane 2.57
    1-propoxy-2-propanol 145.84
    1-methoxy-2-propyl acetate 173.03
    2-(2-methoxypropoxy) propanol 141.1
    mesitylene 16.16
    ε-caprolactone 204.29
    p-cymene 26.73
    epichlorohydrin 406.63
    1,1,1-trichloroethane 111.24
    2-aminoethanol 59.8
    morpholine-4-carbaldehyde 289.04
    sulfolane 375.36
    2,2,4-trimethylpentane 3.96
    2-methyltetrahydrofuran 198.32
    n-hexyl acetate 120.27
    isooctane 2.66
    2-(2-butoxyethoxy)ethanol 170.72
    sec-butyl acetate 80.24
    tert-butyl acetate 102.48
    decalin 3.92
    glycerin 84.62
    diglyme 235.5
    acrylic acid 93.28
    isopropyl myristate 43.77
    n-butyric acid 122.46
    acetyl acetate 69.41
    di(2-ethylhexyl) phthalate 60.87
    ethyl propionate 91.75
    nitromethane 204.17
    1,2-diethoxyethane 100.86
    benzonitrile 86.5
    trioctyl phosphate 43.21
    1-bromopropane 76.42
    gamma-valerolactone 387.16
    n-decanol 27.36
    triethyl phosphate 49.66
    4-methyl-2-pentanol 36.7
    propionitrile 70.27
    vinylene carbonate 173.73
    1,1,2-trichlorotrifluoroethane 263.88
    DMS 128.7
    cumene 22.18
    2-octanol 31.65
    2-hexanone 100.24
    octyl acetate 65.15
    limonene 36.64
    1,2-dimethoxyethane 139.75
    ethyl orthosilicate 47.49
    tributyl phosphate 53.7
    diacetone alcohol 133.37
    N,N-dimethylaniline 61.04
    acrylonitrile 99.0
    aniline 70.55
    1,3-propanediol 74.02
    bromobenzene 80.02
    dibromomethane 131.34
    1,1,2,2-tetrachloroethane 259.65
    2-methyl-cyclohexyl acetate 95.28
    tetrabutyl urea 69.06
    diisobutyl methanol 25.37
    2-phenylethanol 97.21
    styrene 27.89
    dioctyl adipate 74.59
    dimethyl sulfate 170.55
    ethyl butyrate 87.31
    methyl lactate 120.8
    butyl lactate 107.27
    diethyl carbonate 58.39
    propanediol butyl ether 129.59
    triethyl orthoformate 64.55
    p-tert-butyltoluene 25.5
    methyl 4-tert-butylbenzoate 109.53
    morpholine 156.23
    tert-butylamine 25.42
    n-dodecanol 19.32
    dimethoxymethane 202.41
    ethylene carbonate 126.98
    cyrene 136.22
    2-ethoxyethyl acetate 149.52
    2-ethylhexyl acetate 105.76
    1,2,4-trichlorobenzene 122.73
    4-methylpyridine 151.5
    dibutyl ether 37.02
    2,6-dimethyl-4-heptanol 25.37
    DEF 142.18
    dimethyl isosorbide 250.93
    tetrachloroethylene 125.6
    eugenol 121.91
    triacetin 130.84
    span 80 113.08
    1,4-butanediol 35.32
    1,1-dichloroethane 131.92
    2-methyl-1-pentanol 58.51
    methyl formate 116.37
    2-methyl-1-butanol 69.49
    n-decane 2.86
    butyronitrile 69.6
    3,7-dimethyl-1-octanol 44.38
    1-chlorooctane 22.66
    1-chlorotetradecane 7.81
    n-nonane 2.51
    undecane 2.16
    tert-butylcyclohexane 4.39
    cyclooctane 1.3
    cyclopentanol 81.58
    tetrahydropyran 90.88
    tert-amyl methyl ether 66.92
    2,5,8-trioxanonane 168.34
    1-hexene 19.92
    2-isopropoxyethanol 90.29
    2,2,2-trifluoroethanol 54.8
    methyl butyrate 118.79

    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