Quinmerac

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  • Identifiers

    CAS number
    90717-03-6

    Molecular formula
    C11H8ClNO2

    SMILES
    CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 43.34%
    Grape 40.7%
    Odorless 36.76%
    Neroli 36.52%
    Animal 35.14%
    Sweet 31.32%
    Powdery 31.1%
    Fruity 31.08%
    Musk 29.08%
    Phenolic 27.47%

     

    Flavor
    Bitter 73.65%
    Odorless 46.82%
    Mild 33.04%
    Bland 22.01%
    Very strong 21.81%
    Nitrile 21.61%
    Indole 21.51%
    Bread crust 21.43%
    Orange flower 21.24%
    Nutty 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.93 (weak acid)

    Molecular weight
    221.64 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 193.59 ˚C est.

  • Synonyms

    • Quinmerac
    • 90717-03-6
    • 7-Chloro-3-methylquinoline-8-carboxylic acid
    • 7-Chloro-3-methyl-8-quinolinecarboxylic acid
    • BAS 518
    • 7-Chloro-3-methyl-quinoline-8-carboxylic acid
    • 0OFY83UPMH
    • DTXSID1042364
    • DTXCID9022364
    • CHEBI:84199
    • BAS-518
    • RefChem:178217
    • 402-790-6
    • 618-627-9
    • 8-Quinolinecarboxylic acid, 7-chloro-3-methyl-
    • MFCD00145199
    • BAS 518H
    • Quinmerac [ISO:BSI]
    • BAS 51802H
    • Quinmerac [ISO]
    • UNII-0OFY83UPMH
    • Quinmerac 10 microg/mL in Acetonitrile
    • Quinmerac 100 microg/mL in Acetonitrile
    • QUINMERAC [MI]
    • SCHEMBL54128
    • CHEMBL2448918
    • SCHEMBL29351452
    • SCHEMBL29433226
    • MSK22206
    • Tox21_301872
    • EBC-13446
    • AKOS022654226
    • CS-W020999
    • NCGC00166160-01
    • NCGC00255867-01
    • AS-66424
    • CAS-90717-03-6
    • DB-057217
    • NS00000708
    • 8-Quinolinecarboxylicacid,7-chloro-3-methyl-
    • Quinmerac, PESTANAL(R), analytical standard
    • C18891
    • D77922
    • EN300-9446487
    • Q2124519
    • Z1509581796
    • 8-Quinolinecarboxylic acid, 7-chloro-3-methyl-; 7-Chloro-3-methyl-8-quinolinecarboxylic acid; BAS 518; BAS 51802H; BAS 518H; Quinmerac
    • 90717-03-6

  • Applications

    Quinmerac (CAS 90717-03-6) is an active ingredient in herbicide formulations used in agriculture to selectively control broadleaf weeds. It is typically applied as a foliar post-emergence treatment, often in tank-mixes within integrated weed management programs. Real-world applications include crop protection in agriculture, turf and landscape weed management, ornamental horticulture, and vegetation control along roadsides, rail corridors, and in urban/industrial areas. Use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.19
    methanol 12.22
    isopropanol 8.82
    water 0.04
    ethyl acetate 12.47
    n-propanol 11.62
    acetone 18.77
    n-butanol 11.51
    acetonitrile 4.31
    DMF 70.14
    toluene 6.16
    isobutanol 9.27
    1,4-dioxane 12.48
    methyl acetate 12.66
    THF 100.27
    2-butanone 25.27
    n-pentanol 8.61
    sec-butanol 10.92
    n-hexane 0.19
    ethylene glycol 6.19
    NMP 95.96
    cyclohexane 0.11
    DMSO 73.71
    n-butyl acetate 15.34
    n-octanol 3.71
    chloroform 8.85
    n-propyl acetate 12.14
    acetic acid 9.97
    dichloromethane 12.0
    cyclohexanone 25.57
    propylene glycol 7.34
    isopropyl acetate 9.46
    DMAc 73.24
    2-ethoxyethanol 26.04
    isopentanol 12.52
    n-heptane 0.28
    ethyl formate 9.83
    1,2-dichloroethane 13.57
    n-hexanol 10.98
    2-methoxyethanol 46.63
    isobutyl acetate 6.98
    tetrachloromethane 1.82
    n-pentyl acetate 10.52
    transcutol 54.13
    n-heptanol 6.75
    ethylbenzene 4.26
    MIBK 15.13
    2-propoxyethanol 37.48
    tert-butanol 12.29
    MTBE 7.95
    2-butoxyethanol 21.92
    propionic acid 9.09
    o-xylene 4.73
    formic acid 9.77
    diethyl ether 6.4
    m-xylene 6.04
    p-xylene 4.34
    chlorobenzene 6.62
    dimethyl carbonate 12.02
    n-octane 0.09
    formamide 18.07
    cyclopentanone 59.12
    2-pentanone 22.41
    anisole 15.37
    cyclopentyl methyl ether 26.15
    gamma-butyrolactone 53.19
    1-methoxy-2-propanol 37.21
    pyridine 20.96
    3-pentanone 13.65
    furfural 50.02
    n-dodecane 0.1
    diethylene glycol 31.83
    diisopropyl ether 2.28
    tert-amyl alcohol 14.91
    acetylacetone 21.29
    n-hexadecane 0.12
    acetophenone 19.6
    methyl propionate 16.39
    isopentyl acetate 15.04
    trichloroethylene 31.94
    n-nonanol 3.73
    cyclohexanol 8.17
    benzyl alcohol 15.59
    2-ethylhexanol 7.1
    isooctanol 5.91
    dipropyl ether 6.08
    1,2-dichlorobenzene 7.81
    ethyl lactate 11.62
    propylene carbonate 23.3
    n-methylformamide 26.32
    2-pentanol 7.94
    n-pentane 0.16
    1-propoxy-2-propanol 25.71
    1-methoxy-2-propyl acetate 23.45
    2-(2-methoxypropoxy) propanol 21.89
    mesitylene 3.03
    ε-caprolactone 24.85
    p-cymene 4.31
    epichlorohydrin 78.55
    1,1,1-trichloroethane 8.42
    2-aminoethanol 11.84
    morpholine-4-carbaldehyde 49.57
    sulfolane 85.97
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 43.17
    n-hexyl acetate 11.42
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 25.45
    sec-butyl acetate 8.63
    tert-butyl acetate 13.83
    decalin 0.38
    glycerin 15.91
    diglyme 45.5
    acrylic acid 10.13
    isopropyl myristate 4.13
    n-butyric acid 13.6
    acetyl acetate 6.17
    di(2-ethylhexyl) phthalate 7.44
    ethyl propionate 12.12
    nitromethane 20.64
    1,2-diethoxyethane 10.81
    benzonitrile 11.48
    trioctyl phosphate 5.09
    1-bromopropane 5.51
    gamma-valerolactone 58.96
    n-decanol 2.67
    triethyl phosphate 8.41
    4-methyl-2-pentanol 6.1
    propionitrile 6.93
    vinylene carbonate 16.44
    1,1,2-trichlorotrifluoroethane 45.38
    DMS 11.76
    cumene 3.72
    2-octanol 4.02
    2-hexanone 15.96
    octyl acetate 5.84
    limonene 4.95
    1,2-dimethoxyethane 35.34
    ethyl orthosilicate 7.71
    tributyl phosphate 5.73
    diacetone alcohol 29.01
    N,N-dimethylaniline 12.54
    acrylonitrile 11.25
    aniline 12.93
    1,3-propanediol 18.26
    bromobenzene 5.37
    dibromomethane 6.64
    1,1,2,2-tetrachloroethane 21.35
    2-methyl-cyclohexyl acetate 12.05
    tetrabutyl urea 9.23
    diisobutyl methanol 4.12
    2-phenylethanol 19.17
    styrene 4.23
    dioctyl adipate 7.53
    dimethyl sulfate 30.02
    ethyl butyrate 11.18
    methyl lactate 16.25
    butyl lactate 13.6
    diethyl carbonate 7.93
    propanediol butyl ether 18.05
    triethyl orthoformate 8.68
    p-tert-butyltoluene 3.97
    methyl 4-tert-butylbenzoate 18.77
    morpholine 26.8
    tert-butylamine 5.08
    n-dodecanol 1.77
    dimethoxymethane 37.6
    ethylene carbonate 11.93
    cyrene 28.8
    2-ethoxyethyl acetate 16.22
    2-ethylhexyl acetate 11.29
    1,2,4-trichlorobenzene 11.31
    4-methylpyridine 25.7
    dibutyl ether 3.23
    2,6-dimethyl-4-heptanol 4.12
    DEF 25.54
    dimethyl isosorbide 43.68
    tetrachloroethylene 13.85
    eugenol 23.2
    triacetin 10.82
    span 80 14.84
    1,4-butanediol 6.81
    1,1-dichloroethane 7.96
    2-methyl-1-pentanol 10.09
    methyl formate 18.38
    2-methyl-1-butanol 12.55
    n-decane 0.15
    butyronitrile 8.37
    3,7-dimethyl-1-octanol 4.83
    1-chlorooctane 1.54
    1-chlorotetradecane 0.57
    n-nonane 0.12
    undecane 0.12
    tert-butylcyclohexane 0.46
    cyclooctane 0.07
    cyclopentanol 15.05
    tetrahydropyran 12.65
    tert-amyl methyl ether 10.52
    2,5,8-trioxanonane 30.12
    1-hexene 1.66
    2-isopropoxyethanol 17.41
    2,2,2-trifluoroethanol 7.25
    methyl butyrate 16.05

    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