Esfenvalerate

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  • Identifiers

    CAS number
    66230-04-4

    Molecular formula
    C25H22ClNO3

    SMILES
    CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 57.13%
    Fruity 47.7%
    Balsamic 33.51%
    Sweet 32.88%
    Grape 30.67%
    Honey 29.98%
    Rose 29.47%
    Neroli 28.14%
    Animal 27.61%
    Lily 26.23%

     

    Flavor
    Bitter 83.52%
    Odorless 33.29%
    Bland 25.04%
    Mild 20.73%
    Nitrile 19.39%
    Sweet-like 18.96%
    Cedarleaf 18.9%
    Heather 18.66%
    Broom 18.42%
    Genet 18.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.25 (neutral)

    Molecular weight
    419.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 59-60.2 °C
    • 59-60 °C

    Boiling point

    • 151-167 °C

    Flash point

    • 228.05 ˚C est.
    • 256 °C

    Solubility expt.

    • In xylene, acetone, chloroform, ethyl acetate, dimethylformamide, dimethyl sulfoxide >600, hexane 10-50, methanol 70-100 (all in g/kg, 25 °C)
    • Solubility (1%): acetonitrile >60, chloroform >60, DMF >60, DMSO >60, ethyl acetate >60, acetone >60, ethyl cellosolve 40-50, n-hexane 1-5, kerosene <1, methanol 7-10, alpha-methylnaphthalene 50-60, xylene >60.
    • In acetone, chloroform, methanol >450, hexane 77 (all in g/L at 20 °C; distilled water <20 ug/L (all at 20 °C)
    • In water, 2.0X10-3 mg/L at 25 °C
    • Solubility in water: none

  • Synonyms

    • ESFENVALERATE
    • 66230-04-4
    • Asana
    • Fenvalerate alpha
    • Halmark
    • Sumi-alfa
    • A alpha
    • Sumi-alpha
    • Asana XL
    • (S,S)-Fenvalerate
    • S-5620A alpha
    • 7F07OXM0PP
    • S-1844
    • (S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
    • OMS 3023
    • OMS-3023
    • CHEBI:39346
    • Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (alphaS)-
    • (S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate
    • Fenvalerate (S,S)-
    • RefChem:591138
    • S-5602ALPHA
    • (S)-ALPHA-CYANO-3-PHENOXYBENZYL (S)-2-(4-CHLOROPHENYL)ISOVALERATE
    • Es-fenvalerate
    • Fenvalerate (S,S)-isomer
    • Esfenvalerate [ISO]
    • Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-,(S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-
    • DTXSID4032667
    • Sumi-.alpha.
    • MFCD00203302
    • Esfenvalerate 10 microg/mL in Cyclohexane
    • [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
    • S 1844
    • Sumiciclin Aalpha
    • Sumicidin A alpha
    • [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate
    • Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (.alpha.S)-
    • Fenvalerate A alpha
    • S 5602 A alpha
    • UNII-7F07OXM0PP
    • HSDB 6625
    • SS/RR-Fenvalerate
    • BRN 4275674
    • Esfenvalerate (Standard)
    • A.ALPHA.
    • 1S,1'S-FENVALERATE
    • SCHEMBL26507
    • ESFENVALERATE, (-)-
    • orb1306897
    • CHEMBL1891190
    • DTXCID2012667
    • NIOSH/CY1576370
    • S-5602.ALPHA.
    • SCHEMBL29422205
    • MSK20202
    • Tox21_300785
    • EBC-07850
    • (S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate
    • AKOS025310580
    • HY-129257R
    • (S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate
    • FENVALERATE (S,S)-ISOMER [MI]
    • NCGC00163956-01
    • NCGC00163956-02
    • NCGC00163956-03
    • NCGC00254689-01
    • MS-27361
    • SY252012
    • CAS-66230-04-4
    • HY-129257
    • CS-0104423
    • CY15763700
    • Esfenvalerate 100 microg/mL in Acetonitrile
    • NS00004711
    • C18147
    • G12470
    • Esfenvalerate, PESTANAL(R), analytical standard
    • 230E044
    • A835377
    • Q424851
    • Z3244525280
    • (S)-(S)-Cyano(3-phenoxyphenyl)methyl 2-(4-Chlorophenyl)-3-methylbutanoate
    • (S)-Cyano(3-phenoxyphenyl)methyl (S)-2-(4-chlorophenyl)-3-methylbutanoate
    • (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester
    • (S)-(S)-cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate; A-Fenvalerate
    • (S)-.ALPHA.-CYANO-3-PHENOXYBENZYL (S)-2-(4-CHLOROPHENYL)ISOVALERATE
    • Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S,S)-
    • Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-
    • 66230-04-4

  • Applications

    Esfenvalerate (CAS 66230-04-4) is a pyrethroid insecticide used in agriculture to protect crops from a broad range of pests, including caterpillars, aphids, beetles and mites. It is commonly formulated as emulsifiable concentrates (EC) or wettable powders (WP) and applied to crops such as fruits, vegetables, cereals and cotton, as well as to ornamentals and greenhouse crops to manage pests. In landscape and turf management, it is used to protect lawns and ornamental plantings from herbivorous insects. It may also be used in forestry programs to control certain caterpillar and beetle pests. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.38
    methanol 25.34
    isopropanol 10.28
    water 0.06
    ethyl acetate 107.5
    n-propanol 18.24
    acetone 165.11
    n-butanol 14.78
    acetonitrile 105.91
    DMF 218.93
    toluene 60.66
    isobutanol 13.52
    1,4-dioxane 85.19
    methyl acetate 117.12
    THF 267.69
    2-butanone 133.52
    n-pentanol 19.05
    sec-butanol 15.66
    n-hexane 1.51
    ethylene glycol 6.39
    NMP 231.68
    cyclohexane 2.65
    DMSO 182.68
    n-butyl acetate 57.96
    n-octanol 12.07
    chloroform 440.21
    n-propyl acetate 64.43
    acetic acid 95.24
    dichloromethane 507.21
    cyclohexanone 189.15
    propylene glycol 9.02
    isopropyl acetate 55.79
    DMAc 342.11
    2-ethoxyethanol 46.89
    isopentanol 13.85
    n-heptane 1.96
    ethyl formate 69.75
    1,2-dichloroethane 241.14
    n-hexanol 17.95
    2-methoxyethanol 53.11
    isobutyl acetate 38.08
    tetrachloromethane 26.82
    n-pentyl acetate 48.85
    transcutol 108.95
    n-heptanol 15.03
    ethylbenzene 24.26
    MIBK 45.1
    2-propoxyethanol 54.62
    tert-butanol 12.73
    MTBE 20.97
    2-butoxyethanol 41.37
    propionic acid 56.33
    o-xylene 27.36
    formic acid 36.15
    diethyl ether 36.22
    m-xylene 25.34
    p-xylene 30.53
    chlorobenzene 130.87
    dimethyl carbonate 97.39
    n-octane 1.17
    formamide 70.21
    cyclopentanone 266.81
    2-pentanone 94.24
    anisole 57.41
    cyclopentyl methyl ether 66.01
    gamma-butyrolactone 266.64
    1-methoxy-2-propanol 41.97
    pyridine 174.04
    3-pentanone 98.83
    furfural 229.93
    n-dodecane 1.35
    diethylene glycol 38.96
    diisopropyl ether 8.01
    tert-amyl alcohol 16.46
    acetylacetone 160.6
    n-hexadecane 1.55
    acetophenone 83.9
    methyl propionate 103.53
    isopentyl acetate 45.88
    trichloroethylene 605.69
    n-nonanol 13.2
    cyclohexanol 23.31
    benzyl alcohol 47.57
    2-ethylhexanol 16.0
    isooctanol 13.66
    dipropyl ether 25.67
    1,2-dichlorobenzene 113.99
    ethyl lactate 41.94
    propylene carbonate 141.51
    n-methylformamide 93.95
    2-pentanol 11.3
    n-pentane 1.12
    1-propoxy-2-propanol 39.23
    1-methoxy-2-propyl acetate 73.2
    2-(2-methoxypropoxy) propanol 47.14
    mesitylene 11.43
    ε-caprolactone 135.77
    p-cymene 14.29
    epichlorohydrin 332.56
    1,1,1-trichloroethane 162.3
    2-aminoethanol 12.98
    morpholine-4-carbaldehyde 155.24
    sulfolane 279.15
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 102.08
    n-hexyl acetate 46.28
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 51.06
    sec-butyl acetate 41.05
    tert-butyl acetate 47.99
    decalin 2.33
    glycerin 17.52
    diglyme 112.14
    acrylic acid 71.93
    isopropyl myristate 19.4
    n-butyric acid 62.88
    acetyl acetate 101.98
    di(2-ethylhexyl) phthalate 29.15
    ethyl propionate 62.06
    nitromethane 267.58
    1,2-diethoxyethane 49.7
    benzonitrile 88.38
    trioctyl phosphate 18.63
    1-bromopropane 77.55
    gamma-valerolactone 261.33
    n-decanol 10.25
    triethyl phosphate 34.85
    4-methyl-2-pentanol 8.36
    propionitrile 68.63
    vinylene carbonate 153.4
    1,1,2-trichlorotrifluoroethane 191.68
    DMS 76.14
    cumene 13.58
    2-octanol 10.03
    2-hexanone 66.58
    octyl acetate 26.92
    limonene 19.52
    1,2-dimethoxyethane 85.0
    ethyl orthosilicate 28.39
    tributyl phosphate 23.85
    diacetone alcohol 50.47
    N,N-dimethylaniline 35.69
    acrylonitrile 110.49
    aniline 55.86
    1,3-propanediol 16.86
    bromobenzene 143.32
    dibromomethane 247.5
    1,1,2,2-tetrachloroethane 339.82
    2-methyl-cyclohexyl acetate 44.08
    tetrabutyl urea 33.55
    diisobutyl methanol 9.81
    2-phenylethanol 44.03
    styrene 35.91
    dioctyl adipate 40.25
    dimethyl sulfate 156.65
    ethyl butyrate 53.29
    methyl lactate 61.51
    butyl lactate 41.92
    diethyl carbonate 43.85
    propanediol butyl ether 30.29
    triethyl orthoformate 37.29
    p-tert-butyltoluene 11.89
    methyl 4-tert-butylbenzoate 58.8
    morpholine 92.95
    tert-butylamine 6.87
    n-dodecanol 8.15
    dimethoxymethane 117.06
    ethylene carbonate 111.4
    cyrene 69.1
    2-ethoxyethyl acetate 80.11
    2-ethylhexyl acetate 39.97
    1,2,4-trichlorobenzene 130.9
    4-methylpyridine 140.35
    dibutyl ether 18.7
    2,6-dimethyl-4-heptanol 9.81
    DEF 102.77
    dimethyl isosorbide 97.74
    tetrachloroethylene 192.04
    eugenol 56.68
    triacetin 80.14
    span 80 38.55
    1,4-butanediol 11.94
    1,1-dichloroethane 182.8
    2-methyl-1-pentanol 18.95
    methyl formate 100.72
    2-methyl-1-butanol 15.75
    n-decane 2.11
    butyronitrile 52.44
    3,7-dimethyl-1-octanol 12.49
    1-chlorooctane 12.2
    1-chlorotetradecane 5.36
    n-nonane 1.74
    undecane 1.63
    tert-butylcyclohexane 1.85
    cyclooctane 0.82
    cyclopentanol 31.71
    tetrahydropyran 79.76
    tert-amyl methyl ether 23.68
    2,5,8-trioxanonane 77.84
    1-hexene 11.61
    2-isopropoxyethanol 35.76
    2,2,2-trifluoroethanol 58.09
    methyl butyrate 76.01

    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