Acibenzolar-S-Methyl

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  • Identifiers

    CAS number
    135158-54-2

    Molecular formula
    C8H6N2OS2

    SMILES
    CSC(=O)C1=C2C(=CC=C1)N=NS2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 68.98%
    Roasted 60.06%
    Meaty 56.2%
    Nutty 43.69%
    Cooked 42.52%
    Coffee 42.27%
    Burnt 40.79%
    Savory 39.57%
    Cheesy 36.25%
    Cabbage 33.83%

     

    Flavor
    Bitter 49.36%
    Nutty 45.76%
    Roasted 45.25%
    Roast 35.86%
    Cooked 34.66%
    Popcorn 34.42%
    Chip 31.07%
    Corn 30.87%
    Coffee 28.99%
    Chocolate 26.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.01 (neutral)

    Molecular weight
    210.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 132.9 °C

    Boiling point

    • Approx 267 °C

    Flash point

    • 178.35 ˚C est.

    Solubility expt.

    • Solubility in methanol 4.2, ethyl acetate 25, n-hexane 1.3, toluene 36, n-octanol 5.4, acetone 28, dichloromethane 160 (all in g/l, 25 °C).
    • In water, 7.7 mg/l @ 25 °C

  • Synonyms

    • Acibenzolar-S-Methyl
    • 135158-54-2
    • Actigard
    • S-Methyl 1,2,3-benzothiadiazole-7-carbothioate
    • Bendicar
    • Bion (pesticide)
    • BTH (agrochemical)
    • CGA 245704
    • 7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole
    • DTXSID1032519
    • BCW6119347
    • GGA 245704
    • DTXCID9012519
    • CHEBI:73178
    • s-methyl benzo(1,2,3)thiadiazole-7-carbothioate
    • 1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester
    • benzo(1,2,3)thiadiazole-7-carbothioic acid s-methyl ester
    • benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester
    • S-methyl benzo[1,2,3]thiadiazole-7-carbothioate
    • Benz(1,2,3)thiadiazole-7-carbothioic acid-s-methyl ester
    • BTH ester
    • RefChem:552538
    • 1,2,3-benzothiadiazol-7-yl(methylsulfanyl)methanone
    • 420-050-0
    • 603-901-2
    • Acibenzolar-S-Methyl [ISO]
    • 1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester
    • HSDB 7021
    • CCRIS 9239
    • BTH derivative
    • EINECS Annex I Index 016-083-00-1
    • UNII-BCW6119347
    • benzothiadiazole derivative
    • ACIBNZOLAR-S-METHYL
    • EC 420-050-0
    • Acibenzolar-S-methyl 10 microg/mL in Cyclohexane
    • S-methyl benzo(1.2.3)thiadiazole-7-carbothioate
    • SCHEMBL50864
    • CHEMBL425055
    • orb1705963
    • SCHEMBL29359506
    • 1,2,3-benzothiadiazole-7-carbothioic acid S-methyl ester
    • ACIBENZOLAR-S-METHYL [MI]
    • 1,2,3-Benzothiadiazole-7-carbothiolic acid, S-methyl ester
    • ACIBENZOLAR-S-METHYL [HSDB]
    • MSK21069
    • Tox21_300864
    • MFCD16656987
    • AKOS015904137
    • NCGC00168291-01
    • NCGC00168291-02
    • NCGC00254768-01
    • ASM
    • DA-70528
    • HY-116541
    • CAS-135158-54-2
    • CS-0065838
    • NS00002657
    • H53185
    • Q341312
    • Pesticide5_Acibenzolar-S-methyl_C8H6N2OS2_Actigard
    • Acibenzolar-S-methyl, PESTANAL(R), analytical standard
    • benzo(1,2,3)-thiadiazole-7-carbothioic acid s-methyl ester
    • 135158-54-2

  • Applications

    Acibenzolar-S-Methyl (CAS 135158-54-2) is a plant defense activator used in agriculture to enhance resistance to a broad range of pathogens by triggering the plant’s innate immune responses. It is commonly formulated for foliar sprays, seed treatments, or soil drenches across field crops, fruit trees, vegetables, and ornamentals, and is frequently evaluated for inclusion in integrated pest management programs alongside conventional protectants. In nurseries and the horticulture sector, ASM is employed to bolster disease resistance in ornamentals and potted plants. Its role is as an elicitor rather than a direct pesticide, and use is subject to local regulations and formulation specifications. It may also be evaluated for post-harvest disease management in certain crops to help reduce losses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.17
    methanol 33.86
    isopropanol 21.12
    water 1.28
    ethyl acetate 88.96
    n-propanol 24.6
    acetone 144.72
    n-butanol 23.2
    acetonitrile 68.57
    DMF 430.29
    toluene 47.14
    isobutanol 21.3
    1,4-dioxane 106.68
    methyl acetate 123.82
    THF 135.96
    2-butanone 132.8
    n-pentanol 30.2
    sec-butanol 24.86
    n-hexane 2.99
    ethylene glycol 21.55
    NMP 316.38
    cyclohexane 5.95
    DMSO 206.31
    n-butyl acetate 72.34
    n-octanol 42.15
    chloroform 136.36
    n-propyl acetate 81.0
    acetic acid 43.11
    dichloromethane 187.92
    cyclohexanone 181.14
    propylene glycol 13.99
    isopropyl acetate 53.44
    DMAc 337.28
    2-ethoxyethanol 76.7
    isopentanol 25.38
    n-heptane 6.49
    ethyl formate 89.76
    1,2-dichloroethane 131.56
    n-hexanol 34.27
    2-methoxyethanol 95.08
    isobutyl acetate 45.29
    tetrachloromethane 22.51
    n-pentyl acetate 81.62
    transcutol 169.71
    n-heptanol 34.88
    ethylbenzene 43.02
    MIBK 56.94
    2-propoxyethanol 77.18
    tert-butanol 27.4
    MTBE 32.87
    2-butoxyethanol 73.1
    propionic acid 46.07
    o-xylene 47.05
    formic acid 24.67
    diethyl ether 38.21
    m-xylene 37.84
    p-xylene 64.71
    chlorobenzene 81.35
    dimethyl carbonate 84.25
    n-octane 5.88
    formamide 84.5
    cyclopentanone 220.76
    2-pentanone 91.38
    anisole 90.97
    cyclopentyl methyl ether 64.66
    gamma-butyrolactone 233.12
    1-methoxy-2-propanol 69.16
    pyridine 167.25
    3-pentanone 91.78
    furfural 257.03
    n-dodecane 7.25
    diethylene glycol 75.25
    diisopropyl ether 15.05
    tert-amyl alcohol 30.02
    acetylacetone 138.47
    n-hexadecane 8.34
    acetophenone 126.95
    methyl propionate 103.18
    isopentyl acetate 60.73
    trichloroethylene 252.54
    n-nonanol 40.38
    cyclohexanol 36.38
    benzyl alcohol 74.02
    2-ethylhexanol 33.15
    isooctanol 31.41
    dipropyl ether 33.63
    1,2-dichlorobenzene 93.87
    ethyl lactate 48.15
    propylene carbonate 122.72
    n-methylformamide 140.22
    2-pentanol 20.96
    n-pentane 3.08
    1-propoxy-2-propanol 56.42
    1-methoxy-2-propyl acetate 76.94
    2-(2-methoxypropoxy) propanol 70.68
    mesitylene 24.63
    ε-caprolactone 142.97
    p-cymene 33.54
    epichlorohydrin 211.6
    1,1,1-trichloroethane 79.05
    2-aminoethanol 25.45
    morpholine-4-carbaldehyde 268.16
    sulfolane 249.15
    2,2,4-trimethylpentane 2.76
    2-methyltetrahydrofuran 91.9
    n-hexyl acetate 89.23
    isooctane 2.05
    2-(2-butoxyethoxy)ethanol 86.07
    sec-butyl acetate 50.69
    tert-butyl acetate 51.42
    decalin 6.55
    glycerin 30.51
    diglyme 187.27
    acrylic acid 57.13
    isopropyl myristate 42.22
    n-butyric acid 49.98
    acetyl acetate 62.14
    di(2-ethylhexyl) phthalate 44.17
    ethyl propionate 79.06
    nitromethane 171.63
    1,2-diethoxyethane 89.89
    benzonitrile 122.28
    trioctyl phosphate 33.89
    1-bromopropane 46.34
    gamma-valerolactone 261.83
    n-decanol 34.01
    triethyl phosphate 38.12
    4-methyl-2-pentanol 16.93
    propionitrile 60.82
    vinylene carbonate 142.54
    1,1,2-trichlorotrifluoroethane 117.99
    DMS 99.14
    cumene 32.8
    2-octanol 33.59
    2-hexanone 86.35
    octyl acetate 55.84
    limonene 38.49
    1,2-dimethoxyethane 169.9
    ethyl orthosilicate 34.71
    tributyl phosphate 39.46
    diacetone alcohol 65.18
    N,N-dimethylaniline 74.93
    acrylonitrile 113.59
    aniline 58.72
    1,3-propanediol 32.87
    bromobenzene 84.18
    dibromomethane 102.02
    1,1,2,2-tetrachloroethane 157.83
    2-methyl-cyclohexyl acetate 56.41
    tetrabutyl urea 65.89
    diisobutyl methanol 23.24
    2-phenylethanol 70.46
    styrene 50.38
    dioctyl adipate 60.63
    dimethyl sulfate 123.73
    ethyl butyrate 64.08
    methyl lactate 60.58
    butyl lactate 58.6
    diethyl carbonate 49.43
    propanediol butyl ether 60.6
    triethyl orthoformate 43.96
    p-tert-butyltoluene 28.65
    methyl 4-tert-butylbenzoate 86.61
    morpholine 103.0
    tert-butylamine 17.38
    n-dodecanol 28.95
    dimethoxymethane 160.02
    ethylene carbonate 105.76
    cyrene 97.47
    2-ethoxyethyl acetate 110.88
    2-ethylhexyl acetate 53.54
    1,2,4-trichlorobenzene 104.58
    4-methylpyridine 150.96
    dibutyl ether 46.1
    2,6-dimethyl-4-heptanol 23.24
    DEF 159.33
    dimethyl isosorbide 134.66
    tetrachloroethylene 120.3
    eugenol 103.7
    triacetin 98.52
    span 80 58.5
    1,4-butanediol 25.76
    1,1-dichloroethane 81.56
    2-methyl-1-pentanol 32.78
    methyl formate 143.02
    2-methyl-1-butanol 24.61
    n-decane 9.82
    butyronitrile 52.73
    3,7-dimethyl-1-octanol 35.43
    1-chlorooctane 33.57
    1-chlorotetradecane 17.88
    n-nonane 8.48
    undecane 8.27
    tert-butylcyclohexane 5.25
    cyclooctane 3.17
    cyclopentanol 44.81
    tetrahydropyran 66.75
    tert-amyl methyl ether 35.16
    2,5,8-trioxanonane 132.43
    1-hexene 14.81
    2-isopropoxyethanol 59.51
    2,2,2-trifluoroethanol 39.84
    methyl butyrate 108.42

    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