N-tert-Butyl-alpha-phenylnitrone

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  • Identifiers

    CAS number
    3376-24-7

    Molecular formula
    C11H15NO

    SMILES
    CC(C)(C)/[N+](=C/C1=CC=CC=C1)/[O-]

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.99%
    Fruity 41.04%
    Woody 40.71%
    Sweet 36.38%
    Rose 35.85%
    Herbal 35.73%
    Green 30.98%
    Dry 28.83%
    Grapefruit 28.38%
    Spicy 27.96%

     

    Flavor
    Bitter 28.09%
    Green 25.73%
    Herbal 24.93%
    Mild 20.46%
    Woody 20.3%
    Heather 20.26%
    Herb 20.02%
    Broom 19.99%
    Genet 19.71%
    Green pepper 19.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.5 (neutral)

    Molecular weight
    177.24 g/mol

    Flash point

    • 93.28 ˚C est.

  • Synonyms

    • n-tert-butyl-alpha-phenylnitrone
    • 3376-24-7
    • Phenyl-N-tert-butylnitrone
    • N-t-Butyl-alpha-phenylnitrone
    • benzylidene-tert-butylamine oxide
    • n-tert-butyl phenyl nitrone
    • PHENYL T-BUTYLNITRONE
    • 2-Methyl-N-(phenylmethylene)-2-propanamine N-oxide
    • 3I91332OPG
    • N-tert-butylphenylnitrone
    • tert Butylphenylnitrone
    • alpha-phenyl-N-tert-butyl nitrone
    • alpha-PBN
    • phenyl-tert-butylnitrone
    • alpha-phenyl-t-butyl nitrone
    • alpha-phenyl-tert-butylnitrone
    • phenyl butyl nitrone
    • N-benzylidene-2-methylpropylamine n-oxide
    • RefChem:927344
    • alpha phenyl-tert-butyl nitrone
    • 222-168-6
    • phenyl-butyl-nitrone
    • N-tert-butyl-1-phenylmethanimine oxide
    • N-tert-Butyl-|A-phenylnitrone
    • 52392-70-8
    • N-Benzylidene-2-methylpropan-2-amine oxide
    • Pbn [MI]
    • MFCD00008799
    • (Z)-N-tert-Butyl-1-phenylmethanimine oxide
    • N-tert-Butyl-.alpha.-phenylnitrone
    • (Z)-benzylidene(tert-butyl)azane oxide
    • (Z)-N-(tert-Butyl)-1-phenylmethanimine oxide
    • 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide, (N(Z))-
    • 119391-92-3
    • N-tert-Butyl-a-phenylnitrone
    • N-Benzylidene-tert-butylamine N-oxide
    • UNII-3I91332OPG
    • N-ert-utyl-lpha-henylnitrone
    • CHEMBL13210
    • SCHEMBL267779
    • Phenyl t-butylnitrone [INCI]
    • HMS6019C06
    • N-tert-Butyl-alpha-phenylnitrone-d14
    • AKOS015888338
    • AKOS025310189
    • GS-3623
    • N-tert-Butyl-alpha-phenylnitrone [PBN]
    • amino(tert-butyl)(phenylmethylene)-1-ol
    • DA-76322
    • SY047550
    • (Z)-N-tert-Butyl-1-phenylmethanimineoxide
    • HY-128463
    • CS-0099161
    • NS00015108
    • ST51001119
    • F11340
    • (Z)-N-Benzylidene-2-methylpropan-2-amine oxide
    • F0001-0991
    • azane, (1,1-dimethylethyl)(phenylmethylene)-, oxide, (Z)-
    • InChI=1/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9
    • 3376-24-7

  • Applications

    N-tert-Butyl-alpha-phenylnitrone (CAS 3376-24-7) is primarily used as a nitrone spin-trap in EPR spectroscopy to detect and study free radicals in chemical, polymer, and biological systems. It also serves as a versatile synthetic reagent in organic chemistry, enabling 1,3-dipolar cycloadditions to access heterocycles such as isoxazolines or isoxazolidines. In research settings, it is employed as a model radical scavenger and probe for antioxidant and radical-pathway studies, including investigations of lipid peroxidation. Additionally, it can be used in materials research and formulation development to explore radical mechanisms and stabilization in coatings, adhesives, and related composites. Finally, it may be evaluated as a research tool in academia and industry for analyzing radical generation and quenching mechanisms, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 337.34
    methanol 379.27
    isopropanol 277.82
    water 11.78
    ethyl acetate 448.36
    n-propanol 295.94
    acetone 486.42
    n-butanol 301.53
    acetonitrile 492.08
    DMF 862.55
    toluene 336.34
    isobutanol 268.18
    1,4-dioxane 590.59
    methyl acetate 565.21
    THF 546.41
    2-butanone 559.8
    n-pentanol 231.27
    sec-butanol 296.1
    n-hexane 100.5
    ethylene glycol 122.34
    NMP 647.29
    cyclohexane 131.2
    DMSO 315.64
    n-butyl acetate 447.86
    n-octanol 222.88
    chloroform 2036.45
    n-propyl acetate 339.32
    acetic acid 372.06
    dichloromethane 1449.33
    cyclohexanone 707.42
    propylene glycol 182.71
    isopropyl acetate 297.24
    DMAc 817.79
    2-ethoxyethanol 306.97
    isopentanol 312.74
    n-heptane 71.57
    ethyl formate 428.42
    1,2-dichloroethane 678.56
    n-hexanol 326.43
    2-methoxyethanol 419.34
    isobutyl acetate 242.15
    tetrachloromethane 312.77
    n-pentyl acetate 221.0
    transcutol 815.53
    n-heptanol 197.09
    ethylbenzene 339.58
    MIBK 274.75
    2-propoxyethanol 406.84
    tert-butanol 352.93
    MTBE 346.02
    2-butoxyethanol 284.97
    propionic acid 386.08
    o-xylene 298.28
    formic acid 191.16
    diethyl ether 249.95
    m-xylene 270.05
    p-xylene 465.99
    chlorobenzene 538.42
    dimethyl carbonate 259.42
    n-octane 43.13
    formamide 294.18
    cyclopentanone 708.88
    2-pentanone 376.76
    anisole 495.86
    cyclopentyl methyl ether 303.58
    gamma-butyrolactone 796.52
    1-methoxy-2-propanol 346.16
    pyridine 639.04
    3-pentanone 358.06
    furfural 842.14
    n-dodecane 36.46
    diethylene glycol 321.76
    diisopropyl ether 124.51
    tert-amyl alcohol 358.62
    acetylacetone 456.54
    n-hexadecane 40.46
    acetophenone 494.03
    methyl propionate 399.23
    isopentyl acetate 410.91
    trichloroethylene 1585.14
    n-nonanol 193.55
    cyclohexanol 305.47
    benzyl alcohol 347.42
    2-ethylhexanol 266.97
    isooctanol 160.87
    dipropyl ether 229.96
    1,2-dichlorobenzene 584.72
    ethyl lactate 248.78
    propylene carbonate 648.21
    n-methylformamide 412.69
    2-pentanol 225.94
    n-pentane 67.24
    1-propoxy-2-propanol 347.99
    1-methoxy-2-propyl acetate 392.23
    2-(2-methoxypropoxy) propanol 347.74
    mesitylene 196.84
    ε-caprolactone 605.9
    p-cymene 204.21
    epichlorohydrin 709.52
    1,1,1-trichloroethane 922.24
    2-aminoethanol 222.17
    morpholine-4-carbaldehyde 707.88
    sulfolane 649.4
    2,2,4-trimethylpentane 56.9
    2-methyltetrahydrofuran 451.44
    n-hexyl acetate 364.41
    isooctane 40.53
    2-(2-butoxyethoxy)ethanol 380.01
    sec-butyl acetate 267.87
    tert-butyl acetate 327.57
    decalin 98.52
    glycerin 223.89
    diglyme 635.13
    acrylic acid 378.1
    isopropyl myristate 182.37
    n-butyric acid 459.43
    acetyl acetate 369.41
    di(2-ethylhexyl) phthalate 177.94
    ethyl propionate 354.08
    nitromethane 721.75
    1,2-diethoxyethane 340.41
    benzonitrile 529.1
    trioctyl phosphate 126.95
    1-bromopropane 441.19
    gamma-valerolactone 840.71
    n-decanol 154.17
    triethyl phosphate 214.86
    4-methyl-2-pentanol 177.17
    propionitrile 445.98
    vinylene carbonate 697.8
    1,1,2-trichlorotrifluoroethane 640.67
    DMS 368.07
    cumene 251.32
    2-octanol 145.18
    2-hexanone 352.31
    octyl acetate 220.52
    limonene 240.96
    1,2-dimethoxyethane 556.49
    ethyl orthosilicate 196.78
    tributyl phosphate 171.84
    diacetone alcohol 345.44
    N,N-dimethylaniline 366.91
    acrylonitrile 583.81
    aniline 335.32
    1,3-propanediol 258.8
    bromobenzene 594.98
    dibromomethane 965.45
    1,1,2,2-tetrachloroethane 1358.99
    2-methyl-cyclohexyl acetate 308.39
    tetrabutyl urea 208.45
    diisobutyl methanol 158.78
    2-phenylethanol 348.5
    styrene 372.23
    dioctyl adipate 256.91
    dimethyl sulfate 350.58
    ethyl butyrate 389.47
    methyl lactate 274.13
    butyl lactate 235.57
    diethyl carbonate 331.18
    propanediol butyl ether 313.8
    triethyl orthoformate 262.7
    p-tert-butyltoluene 187.53
    methyl 4-tert-butylbenzoate 367.51
    morpholine 533.88
    tert-butylamine 268.32
    n-dodecanol 131.47
    dimethoxymethane 346.05
    ethylene carbonate 534.54
    cyrene 320.79
    2-ethoxyethyl acetate 298.21
    2-ethylhexyl acetate 331.15
    1,2,4-trichlorobenzene 639.58
    4-methylpyridine 726.93
    dibutyl ether 239.67
    2,6-dimethyl-4-heptanol 158.78
    DEF 469.01
    dimethyl isosorbide 509.89
    tetrachloroethylene 812.9
    eugenol 342.41
    triacetin 392.62
    span 80 298.24
    1,4-butanediol 149.7
    1,1-dichloroethane 859.42
    2-methyl-1-pentanol 258.93
    methyl formate 408.72
    2-methyl-1-butanol 283.0
    n-decane 57.36
    butyronitrile 434.74
    3,7-dimethyl-1-octanol 239.67
    1-chlorooctane 189.8
    1-chlorotetradecane 88.93
    n-nonane 58.11
    undecane 43.92
    tert-butylcyclohexane 95.66
    cyclooctane 50.96
    cyclopentanol 285.63
    tetrahydropyran 447.86
    tert-amyl methyl ether 290.26
    2,5,8-trioxanonane 460.45
    1-hexene 258.42
    2-isopropoxyethanol 252.33
    2,2,2-trifluoroethanol 230.44
    methyl butyrate 479.16

    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