Spinosad

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  • Identifiers

    CAS number
    168316-95-8

    Molecular formula
    C83H132N2O20

    SMILES
    CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 43.43%
    Mint 26.47%
    Woody 23.14%
    Cooling 22.55%
    Sweet 20.57%
    Spicy 19.4%
    Nutty 18.85%
    Lactonic 18.44%
    Vanilla 18.28%
    Milky 18.25%

     

    Flavor
    Bitter 60.5%
    Fatty 31.72%
    Cedarleaf 22.16%
    Sweet-like 22.08%
    Metallic 21.98%
    Cauliflower 20.47%
    Alkaline 20.36%
    Green tea 20.03%
    Lovage 20.03%
    Naphthalic 19.78%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.98 (weak acid)

    Molecular weight
    1477.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 84 - 99.5 °C (Spinosyn A), 161 - 170 °C (Spinosyn D)
    • 112-123 °C

    Boiling point

    • 801.515°C

    Flash point

    • 149.76 ˚C est.

    Solubility expt.

    • not soluble.
    • Solubility in water: none

  • Synonyms

    • 168316-95-8
    • Natroba
    • Blackhawk
    • Comfortis
    • Conserve
    • Extinosad
    • Natrova
    • Spintor
    • NaturaLyte
    • Tracer Naturalyte
    • Spinosyns spinosad
    • XPA88EAP6V
    • Spinosad (ema epar: veterinary)
    • XDE-105
    • Success
    • DE-105
    • PP-105
    • LY-232105
    • ENTRUST
    • RefChem:56045
    • DTXSID7032478
    • CHEBI:39211
    • TRIFEXIS COMPONENT SPINOSAD
    • 434-300-1
    • (1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-((2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl)oxy-19-ethyl-4,14-dimethyl-7-((2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo(10.10.0.02,10.05,9)docosa-3,11-diene-13,21-dione;(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-((2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl)oxy-19-ethyl-14-methyl-7-((2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo(10.10.0.02,10.05,9)docosa-3,11-diene-13,21-dione
    • Spinosad
    • Spinosad (Standard)
    • SCHEMBL22966
    • orb1298390
    • orb3025087
    • Spinosad - mixture of A + D
    • CHEMBL2040681
    • JFLRKDZMHNBDQS-SGSTVUCESA-N
    • MSK20409
    • C83H132N2O20
    • EBC-27566
    • DB08823
    • FS45695
    • HY-138800R
    • MS-32180
    • HY-138800
    • CS-0168745
    • Q3493529
    • 168316-95-8

  • Applications

    Spinosad (CAS 168316-95-8) is used as a natural insecticide in agriculture to control pests on fruit crops, vegetables, and ornamental plants, and is commonly applied in integrated pest management as well as in organic farming where permitted. It is formulated for veterinary flea-control products to protect dogs and cats from fleas. In household and consumer products, spinosad appears in insecticidal baits, sprays, and surface treatments for indoor and outdoor pest management. Its use varies by region and formulation and is subject to local regulations and labeling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.34
    methanol 81.37
    isopropanol 39.38
    water 0.36
    ethyl acetate 115.49
    n-propanol 106.74
    acetone 68.68
    n-butanol 85.28
    acetonitrile 42.71
    DMF 107.15
    toluene 61.78
    isobutanol 58.41
    1,4-dioxane 114.64
    methyl acetate 98.98
    THF 165.25
    2-butanone 116.86
    n-pentanol 59.02
    sec-butanol 56.46
    n-hexane 1.92
    ethylene glycol 19.62
    NMP 309.75
    cyclohexane 4.44
    DMSO 93.87
    n-butyl acetate 42.7
    n-octanol 18.1
    chloroform 333.41
    n-propyl acetate 47.31
    acetic acid 344.77
    dichloromethane 289.18
    cyclohexanone 184.69
    propylene glycol 25.95
    isopropyl acetate 53.26
    DMAc 227.62
    2-ethoxyethanol 106.17
    isopentanol 44.95
    n-heptane 1.73
    ethyl formate 75.03
    1,2-dichloroethane 126.19
    n-hexanol 33.63
    2-methoxyethanol 136.56
    isobutyl acetate 27.38
    tetrachloromethane 53.74
    n-pentyl acetate 53.69
    transcutol 119.85
    n-heptanol 26.53
    ethylbenzene 17.91
    MIBK 38.3
    2-propoxyethanol 106.54
    tert-butanol 22.57
    MTBE 22.98
    2-butoxyethanol 83.14
    propionic acid 147.3
    o-xylene 31.08
    formic acid 145.17
    diethyl ether 49.78
    m-xylene 29.77
    p-xylene 19.78
    chlorobenzene 84.15
    dimethyl carbonate 75.91
    n-octane 0.77
    formamide 119.43
    cyclopentanone 197.8
    2-pentanone 87.64
    anisole 26.42
    cyclopentyl methyl ether 83.67
    gamma-butyrolactone 271.27
    1-methoxy-2-propanol 94.06
    pyridine 145.19
    3-pentanone 92.18
    furfural 187.75
    n-dodecane 0.7
    diethylene glycol 75.19
    diisopropyl ether 9.95
    tert-amyl alcohol 33.32
    acetylacetone 86.9
    n-hexadecane 0.84
    acetophenone 51.32
    methyl propionate 121.41
    isopentyl acetate 34.98
    trichloroethylene 339.54
    n-nonanol 19.79
    cyclohexanol 71.56
    benzyl alcohol 53.19
    2-ethylhexanol 17.77
    isooctanol 19.71
    dipropyl ether 18.14
    1,2-dichlorobenzene 72.4
    ethyl lactate 37.62
    propylene carbonate 131.32
    n-methylformamide 102.52
    2-pentanol 37.31
    n-pentane 2.94
    1-propoxy-2-propanol 57.35
    1-methoxy-2-propyl acetate 60.48
    2-(2-methoxypropoxy) propanol 49.17
    mesitylene 13.3
    ε-caprolactone 220.17
    p-cymene 10.25
    epichlorohydrin 258.69
    1,1,1-trichloroethane 106.73
    2-aminoethanol 50.35
    morpholine-4-carbaldehyde 201.98
    sulfolane 238.44
    2,2,4-trimethylpentane 2.09
    2-methyltetrahydrofuran 117.57
    n-hexyl acetate 50.4
    isooctane 0.94
    2-(2-butoxyethoxy)ethanol 63.57
    sec-butyl acetate 31.71
    tert-butyl acetate 34.86
    decalin 2.51
    glycerin 49.71
    diglyme 106.22
    acrylic acid 160.68
    isopropyl myristate 14.55
    n-butyric acid 188.01
    acetyl acetate 97.71
    di(2-ethylhexyl) phthalate 29.61
    ethyl propionate 49.95
    nitromethane 259.88
    1,2-diethoxyethane 35.77
    benzonitrile 52.03
    trioctyl phosphate 19.26
    1-bromopropane 68.11
    gamma-valerolactone 315.32
    n-decanol 11.91
    triethyl phosphate 22.95
    4-methyl-2-pentanol 17.17
    propionitrile 49.99
    vinylene carbonate 159.21
    1,1,2-trichlorotrifluoroethane 217.99
    DMS 51.15
    cumene 10.25
    2-octanol 13.72
    2-hexanone 46.6
    octyl acetate 24.32
    limonene 14.56
    1,2-dimethoxyethane 70.04
    ethyl orthosilicate 20.93
    tributyl phosphate 19.37
    diacetone alcohol 54.99
    N,N-dimethylaniline 20.23
    acrylonitrile 71.04
    aniline 73.4
    1,3-propanediol 86.13
    bromobenzene 86.57
    dibromomethane 182.42
    1,1,2,2-tetrachloroethane 198.44
    2-methyl-cyclohexyl acetate 33.48
    tetrabutyl urea 25.97
    diisobutyl methanol 7.35
    2-phenylethanol 46.71
    styrene 20.54
    dioctyl adipate 28.68
    dimethyl sulfate 104.54
    ethyl butyrate 35.62
    methyl lactate 80.21
    butyl lactate 42.77
    diethyl carbonate 23.56
    propanediol butyl ether 49.25
    triethyl orthoformate 26.02
    p-tert-butyltoluene 8.77
    methyl 4-tert-butylbenzoate 54.71
    morpholine 163.08
    tert-butylamine 10.03
    n-dodecanol 7.37
    dimethoxymethane 94.73
    ethylene carbonate 128.32
    cyrene 85.84
    2-ethoxyethyl acetate 82.95
    2-ethylhexyl acetate 30.34
    1,2,4-trichlorobenzene 100.07
    4-methylpyridine 112.49
    dibutyl ether 12.15
    2,6-dimethyl-4-heptanol 7.35
    DEF 117.19
    dimethyl isosorbide 74.45
    tetrachloroethylene 158.85
    eugenol 50.05
    triacetin 68.48
    span 80 50.4
    1,4-butanediol 40.97
    1,1-dichloroethane 107.62
    2-methyl-1-pentanol 41.66
    methyl formate 75.41
    2-methyl-1-butanol 63.4
    n-decane 1.44
    butyronitrile 44.29
    3,7-dimethyl-1-octanol 14.73
    1-chlorooctane 9.07
    1-chlorotetradecane 2.91
    n-nonane 1.1
    undecane 0.96
    tert-butylcyclohexane 1.69
    cyclooctane 1.92
    cyclopentanol 82.72
    tetrahydropyran 105.83
    tert-amyl methyl ether 28.58
    2,5,8-trioxanonane 65.96
    1-hexene 9.59
    2-isopropoxyethanol 63.42
    2,2,2-trifluoroethanol 156.51
    methyl butyrate 58.46

    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