Strobilurin A

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  • Identifiers

    CAS number
    52110-55-1

    Molecular formula
    C16H18O3

    SMILES
    C/C(=C/C=C/C1=CC=CC=C1)/C(=C\OC)/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.36%
    Floral 63.81%
    Balsamic 59.52%
    Spicy 54.67%
    Fruity 49.68%
    Green 44.48%
    Herbal 44.42%
    Cinnamon 42.87%
    Rose 38.51%
    Woody 36.29%

     

    Flavor
    Bitter 27.83%
    Fruity 20.96%
    Heather 20.58%
    Genet 20.32%
    Broom 20.26%
    Oriental 20.12%
    Balsam 20.06%
    Nitrile 19.16%
    Ethyl benzoate 18.64%
    Basil 18.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.31 (neutral)

    Molecular weight
    258.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point

    • 155.88 ˚C est.

  • Synonyms

    • Mucidin
    • 52110-55-1
    • STROBILURIN A
    • methyl (2E,3Z,5E)-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
    • 3,5-Hexadienoic acid, 2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (2E,3Z,5E)-
    • CHEBI:78156
    • DTXSID401025570
    • 15143I0275
    • 3,5-Hexadienoic acid, 2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (E,E,E)-
    • RefChem:159968
    • DTXCID201509817
    • methyl (2E,3E,5E)-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
    • Mucidermin
    • OM-1
    • UNII-15143I0275
    • STROBILURIN A [MI]
    • SCHEMBL1313193
    • HY-W715444
    • CS-0821334
    • NS00011765
    • Q27147658
    • methyl (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoate
    • 3,5-HEXADIENOIC ACID, 2-(METHOXYMETHYLENE)-3-METHYL-6-PHENYL-, METHYL ESTER, (E,Z,E)-
    • 52110-55-1

  • Applications

    Strobilurin A (CAS 52110-55-1) is primarily evaluated as a fungicidal active within the strobilurin class for crop protection in agriculture, helping safeguard crops from fungal diseases across a range of crops. It is also commonly explored as a lead compound for the development of new strobilurin fungicides in agrochemical R&D. In coatings and paints, formulations may consider strobilurin-type compounds for antifungal protection of surfaces. Post-harvest and stored-product protection applications are evaluated to limit mold and decay during storage. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 243.11
    methanol 203.62
    isopropanol 168.57
    water 0.09
    ethyl acetate 331.59
    n-propanol 205.9
    acetone 485.17
    n-butanol 173.12
    acetonitrile 270.74
    DMF 643.59
    toluene 193.91
    isobutanol 134.77
    1,4-dioxane 632.18
    methyl acetate 328.12
    THF 889.05
    2-butanone 408.31
    n-pentanol 125.96
    sec-butanol 167.35
    n-hexane 11.42
    ethylene glycol 47.28
    NMP 357.92
    cyclohexane 30.56
    DMSO 539.86
    n-butyl acetate 108.19
    n-octanol 38.35
    chloroform 1281.61
    n-propyl acetate 150.21
    acetic acid 179.83
    dichloromethane 1348.36
    cyclohexanone 468.48
    propylene glycol 89.14
    isopropyl acetate 126.2
    DMAc 416.55
    2-ethoxyethanol 241.61
    isopentanol 118.1
    n-heptane 7.75
    ethyl formate 191.46
    1,2-dichloroethane 883.16
    n-hexanol 101.08
    2-methoxyethanol 424.32
    isobutyl acetate 84.75
    tetrachloromethane 81.44
    n-pentyl acetate 63.9
    transcutol 280.59
    n-heptanol 49.83
    ethylbenzene 84.53
    MIBK 129.7
    2-propoxyethanol 198.94
    tert-butanol 177.2
    MTBE 131.94
    2-butoxyethanol 111.9
    propionic acid 158.37
    o-xylene 83.87
    formic acid 53.73
    diethyl ether 244.85
    m-xylene 98.87
    p-xylene 91.41
    chlorobenzene 248.98
    dimethyl carbonate 137.5
    n-octane 5.07
    formamide 137.33
    cyclopentanone 652.9
    2-pentanone 297.4
    anisole 179.78
    cyclopentyl methyl ether 275.74
    gamma-butyrolactone 615.89
    1-methoxy-2-propanol 292.1
    pyridine 540.54
    3-pentanone 232.44
    furfural 401.45
    n-dodecane 4.23
    diethylene glycol 154.36
    diisopropyl ether 38.85
    tert-amyl alcohol 138.79
    acetylacetone 270.93
    n-hexadecane 4.99
    acetophenone 162.3
    methyl propionate 291.39
    isopentyl acetate 91.38
    trichloroethylene 1395.26
    n-nonanol 37.94
    cyclohexanol 184.03
    benzyl alcohol 152.44
    2-ethylhexanol 58.94
    isooctanol 43.3
    dipropyl ether 70.46
    1,2-dichlorobenzene 190.22
    ethyl lactate 83.65
    propylene carbonate 259.36
    n-methylformamide 292.3
    2-pentanol 107.12
    n-pentane 10.28
    1-propoxy-2-propanol 117.43
    1-methoxy-2-propyl acetate 127.45
    2-(2-methoxypropoxy) propanol 86.23
    mesitylene 51.07
    ε-caprolactone 321.54
    p-cymene 35.78
    epichlorohydrin 933.07
    1,1,1-trichloroethane 474.26
    2-aminoethanol 113.36
    morpholine-4-carbaldehyde 342.52
    sulfolane 554.8
    2,2,4-trimethylpentane 7.68
    2-methyltetrahydrofuran 470.01
    n-hexyl acetate 82.14
    isooctane 5.63
    2-(2-butoxyethoxy)ethanol 114.74
    sec-butyl acetate 86.32
    tert-butyl acetate 121.14
    decalin 15.78
    glycerin 106.79
    diglyme 261.02
    acrylic acid 131.9
    isopropyl myristate 36.99
    n-butyric acid 224.16
    acetyl acetate 142.65
    di(2-ethylhexyl) phthalate 40.97
    ethyl propionate 144.74
    nitromethane 444.32
    1,2-diethoxyethane 111.04
    benzonitrile 159.16
    trioctyl phosphate 27.28
    1-bromopropane 352.98
    gamma-valerolactone 594.0
    n-decanol 29.26
    triethyl phosphate 56.51
    4-methyl-2-pentanol 51.44
    propionitrile 232.54
    vinylene carbonate 227.14
    1,1,2-trichlorotrifluoroethane 420.47
    DMS 103.82
    cumene 49.89
    2-octanol 30.8
    2-hexanone 158.79
    octyl acetate 48.11
    limonene 50.72
    1,2-dimethoxyethane 363.99
    ethyl orthosilicate 52.18
    tributyl phosphate 34.32
    diacetone alcohol 164.03
    N,N-dimethylaniline 101.22
    acrylonitrile 295.79
    aniline 203.71
    1,3-propanediol 181.9
    bromobenzene 256.46
    dibromomethane 795.43
    1,1,2,2-tetrachloroethane 991.39
    2-methyl-cyclohexyl acetate 83.61
    tetrabutyl urea 49.72
    diisobutyl methanol 34.74
    2-phenylethanol 117.94
    styrene 112.76
    dioctyl adipate 61.13
    dimethyl sulfate 190.81
    ethyl butyrate 96.51
    methyl lactate 120.36
    butyl lactate 59.13
    diethyl carbonate 71.84
    propanediol butyl ether 75.81
    triethyl orthoformate 68.8
    p-tert-butyltoluene 33.98
    methyl 4-tert-butylbenzoate 102.33
    morpholine 753.36
    tert-butylamine 88.35
    n-dodecanol 23.1
    dimethoxymethane 406.96
    ethylene carbonate 195.12
    cyrene 129.14
    2-ethoxyethyl acetate 102.52
    2-ethylhexyl acetate 71.63
    1,2,4-trichlorobenzene 219.76
    4-methylpyridine 377.82
    dibutyl ether 49.07
    2,6-dimethyl-4-heptanol 34.74
    DEF 272.14
    dimethyl isosorbide 160.41
    tetrachloroethylene 516.18
    eugenol 106.12
    triacetin 90.33
    span 80 69.46
    1,4-butanediol 69.52
    1,1-dichloroethane 670.19
    2-methyl-1-pentanol 100.62
    methyl formate 242.88
    2-methyl-1-butanol 120.08
    n-decane 6.92
    butyronitrile 214.81
    3,7-dimethyl-1-octanol 39.74
    1-chlorooctane 36.16
    1-chlorotetradecane 14.69
    n-nonane 6.56
    undecane 5.27
    tert-butylcyclohexane 12.84
    cyclooctane 8.51
    cyclopentanol 215.71
    tetrahydropyran 644.16
    tert-amyl methyl ether 101.81
    2,5,8-trioxanonane 163.56
    1-hexene 60.84
    2-isopropoxyethanol 145.9
    2,2,2-trifluoroethanol 71.27
    methyl butyrate 200.9

    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