Chlorthal-dimethyl

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  • Identifiers

    CAS number
    1861-32-1

    Molecular formula
    C10H6Cl4O4

    SMILES
    COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 44.72%
    Floral 36.75%
    Grape 31.15%
    Fruity 30.49%
    Powdery 28.47%
    Musk 28.23%
    Sweet 28.0%
    Dry 27.99%
    Fatty 22.71%
    Phenolic 21.81%

     

    Flavor
    Bitter 75.77%
    Odorless 41.54%
    Bland 26.64%
    Mild 23.79%
    Sweet-like 20.98%
    Orange flower 19.87%
    Very mild 19.86%
    Nitrile 19.43%
    Heather 19.16%
    Broom 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    3.51 (weak acid)

    Molecular weight
    332.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Melting point expt.

    • 155-156 °C

    Flash point

    • 183.95 ˚C est.

    Solubility expt.

    • LESS THAN 5% IN WATER; GREATER THAN 5% IN CYCLOHEXANONE, ACETONE, XYLENE
    • Solubility (g/kg solvent @ 25 °C): 120 g in dioxan, 250 g in benzene, 170 g in toluene, 140 g in xylene, 100 g in acetone, 70 g in carbon tetrachloride.
    • 7% @ 25 °C IN CARBON TETRACHLORIDE
    • water solubility = 0.5 mg/l @ 25 °C

  • Synonyms

    • Chlorthal-dimethyl
    • dacthal
    • 1861-32-1
    • DIMETHYL TETRACHLOROTEREPHTHALATE
    • Dacthalor
    • Fatal
    • Tetral
    • Dimethyl 2,3,5,6-tetrachloroterephthalate
    • Chlorthal-methyl
    • Chlorthal-dimethy
    • Tetrachloroterephthalic acid dimethyl ester
    • Daktal [Czech]
    • Daktal
    • Caswell No. 382
    • DAC 4
    • Chlorthal dimethyl ester
    • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester
    • Chlorthal-dimethyl [BSI:ISO]
    • HSDB 358
    • DAC 893
    • UNII-ZU3X5G2QLR
    • Chlorothal-methyl
    • Chlorthal-dimethyl [ISO]
    • EINECS 217-464-7
    • Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
    • EPA Pesticide Chemical Code 078701
    • NSC 155745
    • BRN 1888840
    • CCRIS 9261
    • DTXSID0024000
    • AI3-52124
    • DAC-893
    • Dimethyl tetrachloro-1,4-benzenedicarboxylate
    • Terephthalic acid, tetrachloro-, dimethyl ester
    • ZU3X5G2QLR
    • NSC-155745
    • Dimethylester kyseliny tetrachlortereftalove [Czech]
    • Dimethylester kyseliny tetrachlortereftalove
    • DTXCID404000
    • CHLORTHAL-DIMETHYL [MI]
    • 2,3,5,6-Tetrachlorphthalsaure-dimethylester
    • CHEBI:34664
    • CHLORTHAL-DIMETHYL [HSDB]
    • 3-09-00-04257 (Beilstein Handbook Reference)
    • Vegetable turf and ornamental weeder
    • NCGC00094521-05
    • Terechloroterephthalic acid dimethyl ester
    • Dimethyl ester of tetrachloroterephthalic acid
    • Chlorthal-dimethyl 10 microg/mL in Cyclohexane
    • Chlorthal dimethyl
    • Chlorthal-dimethyl 100 microg/mL in Cyclohexane
    • 2,3,5,6-Tetrachloroterephthalic acid, dimethyl ester
    • Dimethyl 2,3,5,6-tetrachloro-1,4-benzenedicarboxylate
    • Terephthalic acid, 2,3,5,6-tetrachloro-,dimethyl ester
    • 2,3,5,6-Tetrachloro-1,4-benzenedicarboxilic acid dimethyl ester
    • 2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester
    • 1,4-Benzenedicarboxylic acid, 2,3,5, 6-tetrachloro-, dimethyl ester
    • DCPA (VAN)
    • 1,4-BENZENEDICARBOXYLIC ACID, 2,3,5,6-TETRACHLORO-, 1,4-DIMETHYL ESTER
    • CAS-1861-32-1
    • 2,3,5,6-Tetrachloroterephthalic acid dimethyl ester
    • Chlorothal
    • Chlorthalmethyl
    • Dactal
    • MFCD00014902
    • 2,3,5,6-Tetrachlorphthalsaure-dimethylester [German]
    • Spectrum_001803
    • SpecPlus_000394
    • dimethyl 2,3,5,6-tetrachloro-terephthalate
    • Spectrum2_001876
    • Spectrum3_000817
    • Spectrum4_000657
    • Spectrum5_001944
    • SCHEMBL53477
    • BSPBio_002313
    • KBioGR_001033
    • KBioSS_002296
    • SPECTRUM330025
    • Chlorthal-dimethyl (Standard)
    • DivK1c_006490
    • SPBio_001752
    • CHEMBL1888079
    • HY-B2062R
    • KBio1_001434
    • KBio2_002294
    • KBio2_004862
    • KBio2_007430
    • KBio3_001813
    • HY-B2062
    • Tox21_300379
    • Tox21_400071
    • CCG-39414
    • NSC155745
    • AKOS002380307
    • WLN: 1OVR BG CG EG FG DVO1
    • CS-5219
    • KS-5362
    • Dimethyl 2,5,6-tetrachloroterephthalate
    • NCGC00094521-01
    • NCGC00094521-02
    • NCGC00094521-03
    • NCGC00094521-04
    • NCGC00094521-06
    • NCGC00094521-07
    • NCGC00254510-01
    • 2,3,5,6Tetrachlorphthalsauredimethylester
    • 2,5,6-Tetrachlorphthalsaure-dimethylester
    • AC-19871
    • Dimethyl 2,3,5,6tetrachloroterephthalate
    • Dimethyl tetrachloro1,4benzenedicarboxylate
    • DB-044581
    • Tetrachloroterephthalic acid, dimethyl ester
    • 1, 2,3,5,6-tetrachloro-, dimethyl ester
    • NS00000701
    • T1064
    • D92444
    • AF-407/05487049
    • 2,3,5,6Tetrachloroterephthalic acid dimethyl ester
    • 2,5,6-Tetrachloroterephthalic acid, dimethyl ester
    • Dimethyl 2,3,5,6tetrachlorobenzene1,4dicarboxylate
    • Q5277322
    • Chlorthal-dimethyl, PESTANAL(R), analytical standard
    • Dimethyl 2,5,6-tetrachloro-1,4-benzenedicarboxylate
    • 1,4Benzenedicarboxylic acid, 2,3,5,6tetrachloro, dimethyl ester
    • 217-464-7

  • Applications

    Chlorthal-dimethyl (CAS 1861-32-1) is primarily used as a herbicide for weed control in agricultural crops; it may also serve as an intermediate in the synthesis of other agrochemicals; it is used in formulation development to optimize herbicide products; and it is occasionally evaluated in research settings as a chemical reference or intermediate for agrochemical-related industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.63
    methanol 1.11
    isopropanol 1.36
    water 0.01
    ethyl acetate 24.86
    n-propanol 1.73
    acetone 14.9
    n-butanol 1.58
    acetonitrile 10.04
    DMF 44.45
    toluene 31.73
    isobutanol 1.67
    1,4-dioxane 48.59
    methyl acetate 25.45
    THF 84.95
    2-butanone 18.8
    n-pentanol 2.31
    sec-butanol 2.14
    n-hexane 2.24
    ethylene glycol 0.68
    NMP 111.11
    cyclohexane 5.07
    DMSO 26.3
    n-butyl acetate 25.04
    n-octanol 4.01
    chloroform 66.27
    n-propyl acetate 19.54
    acetic acid 5.42
    dichloromethane 66.21
    cyclohexanone 36.21
    propylene glycol 0.58
    isopropyl acetate 20.57
    DMAc 82.42
    2-ethoxyethanol 9.36
    isopentanol 2.36
    n-heptane 3.0
    ethyl formate 11.5
    1,2-dichloroethane 35.96
    n-hexanol 4.71
    2-methoxyethanol 10.65
    isobutyl acetate 13.37
    tetrachloromethane 13.78
    n-pentyl acetate 17.41
    transcutol 22.6
    n-heptanol 4.04
    ethylbenzene 22.73
    MIBK 14.09
    2-propoxyethanol 17.2
    tert-butanol 3.23
    MTBE 13.91
    2-butoxyethanol 11.34
    propionic acid 3.76
    o-xylene 24.91
    formic acid 2.74
    diethyl ether 13.39
    m-xylene 21.68
    p-xylene 28.44
    chlorobenzene 26.8
    dimethyl carbonate 24.9
    n-octane 2.17
    formamide 7.36
    cyclopentanone 56.61
    2-pentanone 15.07
    anisole 41.01
    cyclopentyl methyl ether 47.02
    gamma-butyrolactone 73.1
    1-methoxy-2-propanol 7.5
    pyridine 53.66
    3-pentanone 20.53
    furfural 75.77
    n-dodecane 1.77
    diethylene glycol 10.83
    diisopropyl ether 9.58
    tert-amyl alcohol 4.48
    acetylacetone 40.14
    n-hexadecane 2.17
    acetophenone 43.09
    methyl propionate 23.01
    isopentyl acetate 24.5
    trichloroethylene 93.6
    n-nonanol 4.7
    cyclohexanol 5.85
    benzyl alcohol 15.81
    2-ethylhexanol 7.06
    isooctanol 4.29
    dipropyl ether 16.2
    1,2-dichlorobenzene 33.86
    ethyl lactate 8.87
    propylene carbonate 39.44
    n-methylformamide 11.16
    2-pentanol 1.87
    n-pentane 1.22
    1-propoxy-2-propanol 12.03
    1-methoxy-2-propyl acetate 37.26
    2-(2-methoxypropoxy) propanol 19.18
    mesitylene 15.41
    ε-caprolactone 42.78
    p-cymene 15.65
    epichlorohydrin 83.3
    1,1,1-trichloroethane 46.91
    2-aminoethanol 1.29
    morpholine-4-carbaldehyde 79.51
    sulfolane 77.05
    2,2,4-trimethylpentane 2.12
    2-methyltetrahydrofuran 58.64
    n-hexyl acetate 17.27
    isooctane 1.17
    2-(2-butoxyethoxy)ethanol 15.37
    sec-butyl acetate 19.0
    tert-butyl acetate 29.69
    decalin 6.38
    glycerin 1.71
    diglyme 43.25
    acrylic acid 5.03
    isopropyl myristate 11.73
    n-butyric acid 5.14
    acetyl acetate 29.97
    di(2-ethylhexyl) phthalate 11.73
    ethyl propionate 23.83
    nitromethane 28.63
    1,2-diethoxyethane 22.16
    benzonitrile 24.83
    trioctyl phosphate 7.31
    1-bromopropane 17.55
    gamma-valerolactone 70.75
    n-decanol 4.04
    triethyl phosphate 22.6
    4-methyl-2-pentanol 2.48
    propionitrile 7.39
    vinylene carbonate 35.3
    1,1,2-trichlorotrifluoroethane 52.0
    DMS 35.11
    cumene 15.61
    2-octanol 3.81
    2-hexanone 16.82
    octyl acetate 12.28
    limonene 18.61
    1,2-dimethoxyethane 39.02
    ethyl orthosilicate 21.64
    tributyl phosphate 9.49
    diacetone alcohol 17.22
    N,N-dimethylaniline 38.77
    acrylonitrile 12.1
    aniline 20.5
    1,3-propanediol 1.91
    bromobenzene 37.25
    dibromomethane 40.02
    1,1,2,2-tetrachloroethane 66.54
    2-methyl-cyclohexyl acetate 26.84
    tetrabutyl urea 16.94
    diisobutyl methanol 5.77
    2-phenylethanol 21.25
    styrene 24.18
    dioctyl adipate 16.86
    dimethyl sulfate 49.02
    ethyl butyrate 24.9
    methyl lactate 9.25
    butyl lactate 9.68
    diethyl carbonate 21.49
    propanediol butyl ether 5.7
    triethyl orthoformate 23.0
    p-tert-butyltoluene 15.52
    methyl 4-tert-butylbenzoate 32.01
    morpholine 42.63
    tert-butylamine 2.82
    n-dodecanol 3.54
    dimethoxymethane 34.64
    ethylene carbonate 25.34
    cyrene 30.54
    2-ethoxyethyl acetate 27.07
    2-ethylhexyl acetate 25.5
    1,2,4-trichlorobenzene 44.63
    4-methylpyridine 52.03
    dibutyl ether 11.09
    2,6-dimethyl-4-heptanol 5.77
    DEF 38.61
    dimethyl isosorbide 59.3
    tetrachloroethylene 51.12
    eugenol 25.97
    triacetin 25.65
    span 80 11.8
    1,4-butanediol 1.26
    1,1-dichloroethane 23.83
    2-methyl-1-pentanol 3.73
    methyl formate 13.43
    2-methyl-1-butanol 2.51
    n-decane 2.69
    butyronitrile 6.57
    3,7-dimethyl-1-octanol 5.5
    1-chlorooctane 7.66
    1-chlorotetradecane 4.48
    n-nonane 2.4
    undecane 2.14
    tert-butylcyclohexane 4.49
    cyclooctane 3.28
    cyclopentanol 7.57
    tetrahydropyran 29.23
    tert-amyl methyl ether 18.28
    2,5,8-trioxanonane 35.43
    1-hexene 5.62
    2-isopropoxyethanol 9.32
    2,2,2-trifluoroethanol 6.48
    methyl butyrate 24.85

    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