Butenafine

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  • Identifiers

    CAS number
    101828-21-1

    Molecular formula
    C23H27N

    SMILES
    CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.64%
    Green 38.6%
    Rose 38.25%
    Animal 35.07%
    Fruity 32.15%
    Sweet 30.3%
    Lily 29.65%
    Woody 29.55%
    Fresh 28.28%
    Waxy 27.67%

     

    Flavor
    Mild 24.03%
    Green 20.29%
    Creosote 19.85%
    Green pepper 19.48%
    Thymol 19.05%
    Herbal 19.03%
    Tomato leaf 18.86%
    Syrup 18.82%
    Styrene 18.72%
    Nitrile 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    6.9 (neutral)

    Molecular weight
    317.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    472°C

    Flash point

    • 196.77 ˚C est.

    Solubility expt.

    • Slightly soluble (HCl salt)
    • 7.56e-05 g/L

  • Synonyms

    • butenafine
    • 101828-21-1
    • Butenafina
    • Butenafinum
    • N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine
    • DTXSID7040657
    • 91Y494NL0X
    • 4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine
    • CHEBI:3238
    • DTXCID5020657
    • (4-tert-Butyl-benzyl)-methyl-naphthalen-1-ylmethyl-amine
    • (4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
    • ((4-tert-butylphenyl)methyl)(methyl)(naphthalen-1-ylmethyl)amine
    • [(4-tert-butylphenyl)methyl](methyl)(naphthalen-1-ylmethyl)amine
    • RefChem:54581
    • D01AE23
    • Butenafine [INN]
    • Butenafina [INN-Spanish]
    • Butenafinum [INN-Latin]
    • 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
    • 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-
    • Butenafine (INN)
    • 101828-21-1 (free base)
    • NCGC00159511-02
    • 1-(4-tert-butylphenyl)-N-methyl-N-(1-naphthylmethyl)methanamine
    • N-(4-(tert-Butyl)benzyl)-N-methyl-1-(naphthalen-1-yl)methanamine
    • 4-tert-Butylbenzyl(methyl)(1-naphthalenemethyl)amine;4-tert-Butylbenzyl(methyl)(1-naphthalenemethyl)amine
    • CAS-101828-21-1
    • C23H27N
    • Butenafine [INN:BAN]
    • SR-05000001448
    • UNII-91Y494NL0X
    • Spectrum_001553
    • BUTENAFINE [MI]
    • SpecPlus_000920
    • BUTENAFINE [VANDF]
    • CHEMBL990
    • BUTENAFINE [WHO-DD]
    • SCHEMBL65526
    • KBioSS_002033
    • BIDD:GT0236
    • DivK1c_007016
    • N-p-tert-Butylbenzyl-N-methyl-1-naphthalenemethylamine
    • orb1705106
    • SCHEMBL29354083
    • KBio1_001960
    • KBio2_002033
    • KBio2_004601
    • KBio2_007169
    • GLXC-05173
    • HMS2089O04
    • HMS5085N19
    • Tox21 111729
    • Tox21_111729
    • [(4-tert-butylphenyl)methyl](methyl)[(naphthalen-1-yl)methyl]amine
    • BDBM50436713
    • DL-101
    • EBC-26773
    • N-Methyl-N-(naphthalen-1-ylmethyl)-1-(4-tert-butylphenyl)methanamine
    • s5944
    • AKOS015894905
    • N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1-naphthalenemethanamine
    • Tox21_111729_1
    • DB01091
    • FB71433
    • NCGC00159511-03
    • NCGC00159511-04
    • AC-13296
    • AC-37664
    • AS-13357
    • HY-114518
    • CS-0063358
    • NS00068556
    • C08067
    • D07596
    • G78302
    • AB00053744-02
    • AB00053744_03
    • 828B211
    • EN300-22438020
    • Q850729
    • SR-05000001448-1
    • SR-05000001448-2
    • BRD-K90630139-003-05-9
    • N-methyl-N-(4'-t-butylbenzyl)-1-naphthylmethylamine
    • 1-(4-tert-Butylphenyl)-N-methyl-N-[(naphthalen-1-yl)methyl]methanamine
    • Butenafine; 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-; N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1-naphthalenemethanamine; Butenafine
    • 101828-21-1

  • Applications

    Butenafine (CAS 101828-21-1) is primarily used as an active pharmaceutical ingredient in topical antifungal products, such as creams, gels, and ointments, for dermatophytic infections (e.g., tinea pedis, tinea cruris, tinea corporis). In pharmaceutical formulation, it is developed and manufactured to optimize tolerability, stability, and compatibility with base vehicles. It is also employed in research and development to evaluate antifungal efficacy and to study formulation performance in topical delivery systems. In some R&D contexts, it may be considered for delivery systems using polymer matrices to improve drug release and stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.44
    methanol 24.32
    isopropanol 19.22
    water 0.04
    ethyl acetate 243.17
    n-propanol 55.86
    acetone 119.92
    n-butanol 68.48
    acetonitrile 36.86
    DMF 136.5
    toluene 294.5
    isobutanol 46.85
    1,4-dioxane 342.09
    methyl acetate 147.13
    THF 714.85
    2-butanone 189.71
    n-pentanol 64.37
    sec-butanol 36.85
    n-hexane 36.89
    ethylene glycol 2.13
    NMP 158.93
    cyclohexane 37.66
    DMSO 72.18
    n-butyl acetate 265.2
    n-octanol 31.44
    chloroform 763.52
    n-propyl acetate 189.53
    acetic acid 35.82
    dichloromethane 859.32
    cyclohexanone 314.04
    propylene glycol 5.36
    isopropyl acetate 165.41
    DMAc 194.89
    2-ethoxyethanol 100.14
    isopentanol 66.88
    n-heptane 41.29
    ethyl formate 93.87
    1,2-dichloroethane 531.7
    n-hexanol 87.98
    2-methoxyethanol 86.29
    isobutyl acetate 163.94
    tetrachloromethane 68.79
    n-pentyl acetate 120.13
    transcutol 388.97
    n-heptanol 43.33
    ethylbenzene 132.5
    MIBK 152.02
    2-propoxyethanol 164.03
    tert-butanol 32.36
    MTBE 141.69
    2-butoxyethanol 85.85
    propionic acid 38.04
    o-xylene 120.79
    formic acid 6.9
    diethyl ether 264.2
    m-xylene 156.71
    p-xylene 144.46
    chlorobenzene 276.78
    dimethyl carbonate 85.71
    n-octane 13.85
    formamide 15.02
    cyclopentanone 346.73
    2-pentanone 210.89
    anisole 201.04
    cyclopentyl methyl ether 348.42
    gamma-butyrolactone 335.71
    1-methoxy-2-propanol 71.15
    pyridine 324.31
    3-pentanone 206.66
    furfural 233.37
    n-dodecane 6.21
    diethylene glycol 48.6
    diisopropyl ether 88.68
    tert-amyl alcohol 45.86
    acetylacetone 193.72
    n-hexadecane 7.35
    acetophenone 161.76
    methyl propionate 182.06
    isopentyl acetate 239.78
    trichloroethylene 796.24
    n-nonanol 35.53
    cyclohexanol 67.86
    benzyl alcohol 98.86
    2-ethylhexanol 89.19
    isooctanol 45.26
    dipropyl ether 293.64
    1,2-dichlorobenzene 221.4
    ethyl lactate 54.87
    propylene carbonate 176.01
    n-methylformamide 43.24
    2-pentanol 46.23
    n-pentane 24.15
    1-propoxy-2-propanol 135.99
    1-methoxy-2-propyl acetate 246.59
    2-(2-methoxypropoxy) propanol 92.19
    mesitylene 79.84
    ε-caprolactone 275.22
    p-cymene 81.54
    epichlorohydrin 617.29
    1,1,1-trichloroethane 307.31
    2-aminoethanol 9.48
    morpholine-4-carbaldehyde 230.54
    sulfolane 226.61
    2,2,4-trimethylpentane 16.92
    2-methyltetrahydrofuran 401.17
    n-hexyl acetate 120.95
    isooctane 12.61
    2-(2-butoxyethoxy)ethanol 125.91
    sec-butyl acetate 156.22
    tert-butyl acetate 179.61
    decalin 26.95
    glycerin 8.1
    diglyme 329.52
    acrylic acid 29.37
    isopropyl myristate 57.91
    n-butyric acid 97.62
    acetyl acetate 113.83
    di(2-ethylhexyl) phthalate 48.82
    ethyl propionate 175.47
    nitromethane 91.54
    1,2-diethoxyethane 289.28
    benzonitrile 104.4
    trioctyl phosphate 30.94
    1-bromopropane 350.42
    gamma-valerolactone 393.77
    n-decanol 26.46
    triethyl phosphate 90.45
    4-methyl-2-pentanol 41.4
    propionitrile 65.76
    vinylene carbonate 161.56
    1,1,2-trichlorotrifluoroethane 158.24
    DMS 124.58
    cumene 86.14
    2-octanol 26.79
    2-hexanone 167.92
    octyl acetate 64.81
    limonene 111.51
    1,2-dimethoxyethane 298.84
    ethyl orthosilicate 98.58
    tributyl phosphate 44.02
    diacetone alcohol 106.41
    N,N-dimethylaniline 132.23
    acrylonitrile 62.73
    aniline 139.62
    1,3-propanediol 22.14
    bromobenzene 346.85
    dibromomethane 539.9
    1,1,2,2-tetrachloroethane 569.97
    2-methyl-cyclohexyl acetate 167.3
    tetrabutyl urea 55.32
    diisobutyl methanol 56.04
    2-phenylethanol 118.46
    styrene 141.71
    dioctyl adipate 85.2
    dimethyl sulfate 97.0
    ethyl butyrate 244.56
    methyl lactate 36.79
    butyl lactate 66.6
    diethyl carbonate 137.85
    propanediol butyl ether 39.34
    triethyl orthoformate 177.59
    p-tert-butyltoluene 74.82
    methyl 4-tert-butylbenzoate 114.28
    morpholine 332.67
    tert-butylamine 28.15
    n-dodecanol 20.68
    dimethoxymethane 248.7
    ethylene carbonate 140.2
    cyrene 100.66
    2-ethoxyethyl acetate 182.01
    2-ethylhexyl acetate 221.97
    1,2,4-trichlorobenzene 232.85
    4-methylpyridine 314.38
    dibutyl ether 119.75
    2,6-dimethyl-4-heptanol 56.04
    DEF 220.33
    dimethyl isosorbide 241.4
    tetrachloroethylene 323.48
    eugenol 95.73
    triacetin 114.13
    span 80 67.46
    1,4-butanediol 11.44
    1,1-dichloroethane 334.89
    2-methyl-1-pentanol 77.63
    methyl formate 48.36
    2-methyl-1-butanol 71.65
    n-decane 14.14
    butyronitrile 91.54
    3,7-dimethyl-1-octanol 45.27
    1-chlorooctane 58.74
    1-chlorotetradecane 19.14
    n-nonane 13.7
    undecane 8.84
    tert-butylcyclohexane 28.6
    cyclooctane 17.85
    cyclopentanol 52.11
    tetrahydropyran 438.86
    tert-amyl methyl ether 139.54
    2,5,8-trioxanonane 178.14
    1-hexene 132.17
    2-isopropoxyethanol 91.05
    2,2,2-trifluoroethanol 14.63
    methyl butyrate 199.76

    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