Etoxazole

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  • Identifiers

    CAS number
    153233-91-1

    Molecular formula
    C21H23F2NO2

    SMILES
    CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 40.86%
    Floral 36.56%
    Musk 35.13%
    Sweet 33.3%
    Animal 31.69%
    Neroli 28.47%
    Powdery 27.18%
    Dry 24.11%
    Grape 23.66%
    Fresh 21.73%

     

    Flavor
    Bitter 80.91%
    Cedarleaf 21.0%
    Parsley 20.45%
    Green pepper 19.81%
    Bland 19.76%
    Carrot 19.63%
    Lovage 19.42%
    Indole 18.94%
    Syrup 18.89%
    Very strong 18.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    5.64 (weak acid)

    Molecular weight
    359.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    492°C

    Melting point expt.

    • 101-102 °C

    Flash point

    • 189.18 ˚C est.

    Solubility expt.

    • In water, 3.99X10-2 mg/L at 10 °C; 6.69X10-2 mg/L at 30 °C
    • In water, 7.54X10-2 mg/L at 20 °C
    • Solubility in acetone 300, methanol 90, ethanol 90, cyclohexanone 500, etrahydrofuran 750, acetonitrile 80, ethyl acetate 250, xylene 250, n-hexane 13, n-heptane 13 (all in g/L, 20 °C)

  • Synonyms

    • Etoxazole
    • 153233-91-1
    • Baroque
    • 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
    • Borneo
    • TetraSan
    • LBE5H21G6L
    • YI 5301
    • 2-(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole
    • DTXSID8034586
    • Oxazole, 2-(2,6-difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydro-
    • DTXCID6014586
    • CHEBI:39329
    • YI-5301
    • RefChem:139288
    • 604-891-2
    • 4-(4-(tert-Butyl)-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydrooxazole
    • Etoxazole [ISO]
    • MFCD07363987
    • C21H23F2NO2
    • Etoxazole 1000 microg/mL in Acetone
    • Etoxazole 10 microg/mL in Cyclohexane
    • Etoxazole 100 microg/mL in Acetonitrile
    • 4-(4-tert-Butyl-2-ethoxy-phenyl)-2-(2,6-difluorophenyl)-4,5-dihydrooxazole
    • 2-(2,6-DIFLUOROPHENYL)-4-[4-(TERT-BUTYL)-2-ETHOXYPHENYL]-4,5-DIHYDROOXAZOLE
    • HSDB 7277
    • UNII-LBE5H21G6L
    • Etoxazol
    • EINECS Annex I Index 603-199-00-8
    • 4-[4-(tert-Butyl)-2-ethoxyphenyl]-2-(2,6-difluorophenyl)-4,5-dihydrooxazole
    • ZEAL
    • ETOXAZOLE [MI]
    • ETOXAZOLE [HSDB]
    • SCHEMBL27300
    • orb1303227
    • orb3025560
    • CHEMBL1881674
    • SCHEMBL29376426
    • GLXC-21913
    • MSK25079
    • Tox21_301024
    • AKOS016007918
    • HY-W059342
    • PB30878
    • NCGC00163813-01
    • NCGC00163813-02
    • NCGC00163813-03
    • NCGC00254926-01
    • AS-35105
    • SY097727
    • DB-339689
    • CAS-153233-91-1
    • CS-0051196
    • NS00000133
    • Etoxazole, PESTANAL(R), analytical standard
    • C18495
    • 233E911
    • F234916
    • Q1371651
    • 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-oxazole
    • (RS)-5-TERT-BUTYL-2-(2-(2,6-DIFLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-YL)PHENETOLE
    • 2-(2,6-DIFLUOROPHENYL)-4-(4-(1,1-DIMETHYLETHYL)-2- ETHOXYPHENYL)-4,5-DIHYDROOXAZOLE
    • 153233-91-1

  • Applications

    Etoxazole (CAS 153233-91-1) is used in agriculture as a selective miticide to control spider mites on a range of crops, including field crops and greenhouse crops, fruit crops, and vegetables, and it is often integrated into pest-management programs for horticultural production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 361.64
    methanol 289.87
    isopropanol 292.16
    water 0.04
    ethyl acetate 649.24
    n-propanol 387.04
    acetone 973.52
    n-butanol 354.22
    acetonitrile 581.6
    DMF 598.04
    toluene 540.28
    isobutanol 302.74
    1,4-dioxane 659.08
    methyl acetate 594.18
    THF 1843.84
    2-butanone 899.9
    n-pentanol 236.65
    sec-butanol 318.57
    n-hexane 8.73
    ethylene glycol 38.25
    NMP 532.14
    cyclohexane 28.03
    DMSO 1015.3
    n-butyl acetate 282.38
    n-octanol 76.12
    chloroform 2321.68
    n-propyl acetate 317.98
    acetic acid 442.32
    dichloromethane 2126.66
    cyclohexanone 851.79
    propylene glycol 120.46
    isopropyl acetate 344.18
    DMAc 763.3
    2-ethoxyethanol 377.72
    isopentanol 310.79
    n-heptane 7.48
    ethyl formate 405.2
    1,2-dichloroethane 1224.94
    n-hexanol 185.98
    2-methoxyethanol 599.72
    isobutyl acetate 214.13
    tetrachloromethane 149.74
    n-pentyl acetate 175.16
    transcutol 714.28
    n-heptanol 87.68
    ethylbenzene 157.72
    MIBK 321.68
    2-propoxyethanol 396.34
    tert-butanol 303.16
    MTBE 288.57
    2-butoxyethanol 229.03
    propionic acid 309.67
    o-xylene 177.71
    formic acid 104.13
    diethyl ether 318.66
    m-xylene 224.13
    p-xylene 200.37
    chlorobenzene 561.89
    dimethyl carbonate 259.19
    n-octane 3.69
    formamide 218.1
    cyclopentanone 1015.93
    2-pentanone 602.39
    anisole 362.27
    cyclopentyl methyl ether 486.96
    gamma-butyrolactone 891.64
    1-methoxy-2-propanol 490.08
    pyridine 968.45
    3-pentanone 441.11
    furfural 719.92
    n-dodecane 5.13
    diethylene glycol 260.93
    diisopropyl ether 74.29
    tert-amyl alcohol 274.24
    acetylacetone 692.25
    n-hexadecane 6.14
    acetophenone 336.74
    methyl propionate 475.73
    isopentyl acetate 264.05
    trichloroethylene 2230.51
    n-nonanol 76.87
    cyclohexanol 340.26
    benzyl alcohol 353.42
    2-ethylhexanol 110.24
    isooctanol 79.43
    dipropyl ether 115.32
    1,2-dichlorobenzene 398.52
    ethyl lactate 181.5
    propylene carbonate 514.91
    n-methylformamide 373.89
    2-pentanol 206.69
    n-pentane 11.95
    1-propoxy-2-propanol 245.04
    1-methoxy-2-propyl acetate 336.84
    2-(2-methoxypropoxy) propanol 233.74
    mesitylene 95.12
    ε-caprolactone 607.75
    p-cymene 72.49
    epichlorohydrin 1662.16
    1,1,1-trichloroethane 974.71
    2-aminoethanol 148.54
    morpholine-4-carbaldehyde 508.52
    sulfolane 836.32
    2,2,4-trimethylpentane 10.39
    2-methyltetrahydrofuran 927.19
    n-hexyl acetate 210.75
    isooctane 7.29
    2-(2-butoxyethoxy)ethanol 313.16
    sec-butyl acetate 218.05
    tert-butyl acetate 299.57
    decalin 16.45
    glycerin 139.37
    diglyme 548.42
    acrylic acid 257.83
    isopropyl myristate 94.21
    n-butyric acid 489.89
    acetyl acetate 410.12
    di(2-ethylhexyl) phthalate 112.15
    ethyl propionate 293.62
    nitromethane 880.17
    1,2-diethoxyethane 258.19
    benzonitrile 431.93
    trioctyl phosphate 73.16
    1-bromopropane 652.5
    gamma-valerolactone 1056.85
    n-decanol 60.18
    triethyl phosphate 111.65
    4-methyl-2-pentanol 120.7
    propionitrile 486.37
    vinylene carbonate 446.31
    1,1,2-trichlorotrifluoroethane 786.7
    DMS 234.41
    cumene 88.66
    2-octanol 58.28
    2-hexanone 355.59
    octyl acetate 124.66
    limonene 94.29
    1,2-dimethoxyethane 577.18
    ethyl orthosilicate 104.28
    tributyl phosphate 89.47
    diacetone alcohol 360.94
    N,N-dimethylaniline 182.7
    acrylonitrile 568.71
    aniline 501.9
    1,3-propanediol 274.46
    bromobenzene 625.62
    dibromomethane 1345.9
    1,1,2,2-tetrachloroethane 1529.66
    2-methyl-cyclohexyl acetate 185.83
    tetrabutyl urea 111.66
    diisobutyl methanol 61.94
    2-phenylethanol 287.8
    styrene 225.07
    dioctyl adipate 153.36
    dimethyl sulfate 293.84
    ethyl butyrate 219.86
    methyl lactate 241.92
    butyl lactate 153.16
    diethyl carbonate 172.91
    propanediol butyl ether 181.19
    triethyl orthoformate 150.07
    p-tert-butyltoluene 63.26
    methyl 4-tert-butylbenzoate 206.58
    morpholine 885.89
    tert-butylamine 146.84
    n-dodecanol 47.57
    dimethoxymethane 585.44
    ethylene carbonate 397.3
    cyrene 238.71
    2-ethoxyethyl acetate 268.94
    2-ethylhexyl acetate 193.66
    1,2,4-trichlorobenzene 465.36
    4-methylpyridine 854.57
    dibutyl ether 96.91
    2,6-dimethyl-4-heptanol 61.94
    DEF 377.12
    dimethyl isosorbide 382.37
    tetrachloroethylene 732.37
    eugenol 220.18
    triacetin 231.82
    span 80 182.41
    1,4-butanediol 107.03
    1,1-dichloroethane 1194.0
    2-methyl-1-pentanol 244.82
    methyl formate 345.79
    2-methyl-1-butanol 293.43
    n-decane 7.26
    butyronitrile 494.77
    3,7-dimethyl-1-octanol 99.19
    1-chlorooctane 61.57
    1-chlorotetradecane 27.66
    n-nonane 5.82
    undecane 5.97
    tert-butylcyclohexane 13.9
    cyclooctane 7.46
    cyclopentanol 400.19
    tetrahydropyran 804.79
    tert-amyl methyl ether 205.0
    2,5,8-trioxanonane 378.4
    1-hexene 77.24
    2-isopropoxyethanol 260.58
    2,2,2-trifluoroethanol 149.53
    methyl butyrate 387.11

    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