Climbazole

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  • Identifiers

    CAS number
    38083-17-9

    Molecular formula
    C15H17ClN2O2

    SMILES
    CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 43.18%
    Fruity 35.33%
    Animal 26.79%
    Woody 25.52%
    Green 25.1%
    Grape 24.81%
    Neroli 24.25%
    Grapefruit 24.19%
    Powdery 23.08%
    Lily 22.46%

     

    Flavor
    Bitter 77.98%
    Odorless 24.8%
    Bland 23.63%
    Cedarleaf 19.68%
    Heather 19.09%
    Green pepper 19.08%
    Broom 18.96%
    Sweet-like 18.78%
    Genet 18.7%
    Carrot 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.35 (neutral)

    Molecular weight
    292.76 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    466°C

    Flash point

    • 157.25 ˚C est.

  • Synonyms

    • Climbazole
    • 38083-17-9
    • Climbazol
    • Baypival
    • Crinipan AD
    • BAY-E 6975
    • Baysan
    • Climbazolum
    • DTXSID6046555
    • 2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-
    • NSC-759808
    • 9N42CW7I54
    • 1-(p-Chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-2-butanone
    • DTXCID4026555
    • (RS)-1-(4-CHLOROPHENOXY)-1-IMIDAZOL-1-YL-3,3-DIMETHYLBUTAN-2-ONE
    • RefChem:577718
    • CHEBI:83499
    • 253-775-4
    • 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
    • MFCD00055505
    • 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
    • 1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-2-butanone
    • 1-(4-Clorophenoxy)-3,3-dimethyl-1-(imidazole-1-yl)-2-butanone
    • NCGC00166153-01
    • 1-[(4-Chlorophenoxy)(tert-butylcarbonyl)methyl]imidazole
    • Climbazol [INN-Spanish]
    • Climbazolum [INN-Latin]
    • CAS-38083-17-9
    • Climbazole [INN:BAN]
    • EINECS 253-775-4
    • BRN 0618020
    • Bay e 6975
    • UNII-9N42CW7I54
    • CCRIS 8169
    • MEB 6401
    • MEB-6401
    • Climbazole (Standard)
    • 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutanone
    • 1-(p-Chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-2-butanone
    • CLIMBAZOLE [INN]
    • EC 253-775-4
    • CLIMBAZOLE [MART.]
    • CLIMBAZOLE [USP-RS]
    • CLIMBAZOLE [WHO-DD]
    • SCHEMBL39729
    • US9138393, Climbazole
    • US9144538, Climbazole
    • 5-23-04-00209 (Beilstein Handbook Reference)
    • MLS004773943
    • orb1308725
    • BAY e-6975
    • CHEMBL1437764
    • SCHEMBL29039917
    • CHEBI:83719
    • HY-B1151R
    • OWEGWHBOCFMBLP-UHFFFAOYSA-
    • BDBM181112
    • HMS2090O13
    • HMS3652P05
    • HMS3744O15
    • HMS5082F06
    • Pharmakon1600-01504833
    • 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
    • HY-B1151
    • MSK21200
    • Tox21 112343
    • Tox21_112343
    • AC-272
    • DL-358
    • NSC759808
    • s4178
    • 2-BUTANONE, 1-(p-CHLOROPHENOXY)-3,3-DIMETHYL-1-(1-IMIDAZOLYL)-
    • AKOS015895513
    • Tox21_112343_1
    • CCG-213958
    • CS-4675
    • DB15580
    • FC20483
    • KS-5112
    • NSC 759808
    • Climbazole 10 microg/mL in Cyclohexane
    • NCGC00166153-02
    • NCGC00166153-03
    • SMR001550495
    • DB-049235
    • C2025
    • NS00008150
    • SW219213-1
    • Climbazole, PESTANAL(R), analytical standard
    • H10384
    • SBI-0653493.0001
    • AB01275501-01
    • AB01275501_02
    • AB01275501_03
    • 083C179
    • AO-295/40848554
    • F462727
    • Q629373
    • SR-05000001501
    • SR-05000001501-1
    • BRD-A61676498-001-01-7
    • BRD-A61676498-001-05-8
    • BRD-A61676498-001-06-6
    • Climbazole, United States Pharmacopeia (USP) Reference Standard
    • 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethyl-2-butanone
    • 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazol-1-yl)-butan-2-one
    • InChI=1/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
    • 38083-17-9

  • Applications

    Climbazole (CAS 38083-17-9) is primarily used as an antifungal active ingredient in cosmetics and personal care, notably as the active anti-dandruff component in shampoos and scalp-care formulations to limit fungal growth on the scalp and hair. It is also included in some topical pharmaceutical formulations as an antifungal active ingredient in dermatological products, with concentrations and regulatory requirements controlled by jurisdiction. In product development, climbazole may be considered for hair-care formulations aiming to augment antifungal activity, in line with formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 907.17
    methanol 1096.17
    isopropanol 526.48
    water 8.3
    ethyl acetate 462.42
    n-propanol 678.92
    acetone 790.64
    n-butanol 557.06
    acetonitrile 475.73
    DMF 697.2
    toluene 1097.7
    isobutanol 477.47
    1,4-dioxane 615.59
    methyl acetate 526.79
    THF 1088.2
    2-butanone 834.71
    n-pentanol 461.29
    sec-butanol 626.5
    n-hexane 19.75
    ethylene glycol 132.76
    NMP 439.16
    cyclohexane 67.8
    DMSO 448.8
    n-butyl acetate 318.81
    n-octanol 226.02
    chloroform 2509.09
    n-propyl acetate 358.64
    acetic acid 639.31
    dichloromethane 1909.62
    cyclohexanone 1004.47
    propylene glycol 252.51
    isopropyl acetate 250.01
    DMAc 799.9
    2-ethoxyethanol 623.3
    isopentanol 415.81
    n-heptane 26.36
    ethyl formate 526.15
    1,2-dichloroethane 802.78
    n-hexanol 363.77
    2-methoxyethanol 852.51
    isobutyl acetate 240.8
    tetrachloromethane 180.95
    n-pentyl acetate 222.72
    transcutol 666.78
    n-heptanol 261.62
    ethylbenzene 436.42
    MIBK 288.8
    2-propoxyethanol 490.19
    tert-butanol 401.75
    MTBE 302.07
    2-butoxyethanol 384.18
    propionic acid 374.84
    o-xylene 424.55
    formic acid 378.25
    diethyl ether 304.48
    m-xylene 409.82
    p-xylene 732.77
    chlorobenzene 701.41
    dimethyl carbonate 201.54
    n-octane 16.99
    formamide 626.93
    cyclopentanone 886.3
    2-pentanone 548.33
    anisole 527.21
    cyclopentyl methyl ether 429.74
    gamma-butyrolactone 735.89
    1-methoxy-2-propanol 534.89
    pyridine 1372.43
    3-pentanone 386.22
    furfural 813.87
    n-dodecane 16.85
    diethylene glycol 336.76
    diisopropyl ether 75.56
    tert-amyl alcohol 480.38
    acetylacetone 472.91
    n-hexadecane 19.02
    acetophenone 546.38
    methyl propionate 395.1
    isopentyl acetate 278.96
    trichloroethylene 1802.86
    n-nonanol 198.93
    cyclohexanol 545.98
    benzyl alcohol 675.35
    2-ethylhexanol 212.69
    isooctanol 206.11
    dipropyl ether 163.47
    1,2-dichlorobenzene 437.7
    ethyl lactate 195.62
    propylene carbonate 490.63
    n-methylformamide 514.11
    2-pentanol 358.88
    n-pentane 20.98
    1-propoxy-2-propanol 309.9
    1-methoxy-2-propyl acetate 276.08
    2-(2-methoxypropoxy) propanol 239.3
    mesitylene 161.66
    ε-caprolactone 679.46
    p-cymene 133.32
    epichlorohydrin 916.93
    1,1,1-trichloroethane 751.4
    2-aminoethanol 363.7
    morpholine-4-carbaldehyde 650.58
    sulfolane 484.17
    2,2,4-trimethylpentane 22.66
    2-methyltetrahydrofuran 719.84
    n-hexyl acetate 275.07
    isooctane 11.61
    2-(2-butoxyethoxy)ethanol 345.72
    sec-butyl acetate 234.61
    tert-butyl acetate 234.87
    decalin 39.92
    glycerin 247.35
    diglyme 624.66
    acrylic acid 360.52
    isopropyl myristate 106.46
    n-butyric acid 512.63
    acetyl acetate 257.36
    di(2-ethylhexyl) phthalate 134.08
    ethyl propionate 282.72
    nitromethane 792.4
    1,2-diethoxyethane 288.81
    benzonitrile 629.56
    trioctyl phosphate 87.82
    1-bromopropane 559.39
    gamma-valerolactone 1050.83
    n-decanol 144.68
    triethyl phosphate 115.26
    4-methyl-2-pentanol 175.15
    propionitrile 466.73
    vinylene carbonate 522.97
    1,1,2-trichlorotrifluoroethane 648.32
    DMS 213.29
    cumene 205.41
    2-octanol 186.95
    2-hexanone 481.5
    octyl acetate 155.89
    limonene 163.25
    1,2-dimethoxyethane 716.09
    ethyl orthosilicate 118.69
    tributyl phosphate 98.29
    diacetone alcohol 343.56
    N,N-dimethylaniline 345.56
    acrylonitrile 546.72
    aniline 738.25
    1,3-propanediol 488.98
    bromobenzene 716.54
    dibromomethane 1316.85
    1,1,2,2-tetrachloroethane 1314.2
    2-methyl-cyclohexyl acetate 209.13
    tetrabutyl urea 132.2
    diisobutyl methanol 90.58
    2-phenylethanol 428.86
    styrene 530.01
    dioctyl adipate 157.13
    dimethyl sulfate 234.27
    ethyl butyrate 246.07
    methyl lactate 219.17
    butyl lactate 195.69
    diethyl carbonate 167.05
    propanediol butyl ether 322.01
    triethyl orthoformate 168.19
    p-tert-butyltoluene 116.97
    methyl 4-tert-butylbenzoate 241.53
    morpholine 876.84
    tert-butylamine 235.08
    n-dodecanol 108.27
    dimethoxymethane 484.75
    ethylene carbonate 400.1
    cyrene 304.16
    2-ethoxyethyl acetate 263.28
    2-ethylhexyl acetate 222.01
    1,2,4-trichlorobenzene 509.71
    4-methylpyridine 1374.62
    dibutyl ether 159.06
    2,6-dimethyl-4-heptanol 90.58
    DEF 430.33
    dimethyl isosorbide 341.24
    tetrachloroethylene 809.55
    eugenol 278.71
    triacetin 241.94
    span 80 230.03
    1,4-butanediol 264.94
    1,1-dichloroethane 1027.31
    2-methyl-1-pentanol 401.44
    methyl formate 459.46
    2-methyl-1-butanol 470.41
    n-decane 28.36
    butyronitrile 536.0
    3,7-dimethyl-1-octanol 175.71
    1-chlorooctane 133.74
    1-chlorotetradecane 48.94
    n-nonane 24.27
    undecane 20.87
    tert-butylcyclohexane 31.39
    cyclooctane 17.65
    cyclopentanol 515.11
    tetrahydropyran 798.09
    tert-amyl methyl ether 264.38
    2,5,8-trioxanonane 395.28
    1-hexene 168.67
    2-isopropoxyethanol 379.88
    2,2,2-trifluoroethanol 246.05
    methyl butyrate 444.72

    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