2,6-Dichlorotoluene

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  • Identifiers

    CAS number
    118-69-4

    Molecular formula
    C7H6Cl2

    SMILES
    CC1=C(C=CC=C1Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 45.82%
    Animal 37.03%
    Leathery 33.86%
    Woody 33.3%
    Floral 32.05%
    Sweet 32.02%
    Smoky 29.78%
    Musty 29.77%
    Spicy 29.4%
    Burnt 29.22%

     

    Flavor
    Meaty 27.92%
    Mild 26.13%
    Bitter 25.85%
    Phenolic 23.09%
    Roasted 22.06%
    Very strong 21.26%
    Indole 20.93%
    Flat 20.68%
    Nitrile 20.63%
    Scallion 20.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    5.59 (weak acid)

    Molecular weight
    161.03 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 25.8 °C
    • 2.8 °C

    Boiling point

    • 198 °C @ 760 mm Hg
    • 198 °C

    Flash point

    • 71.04 ˚C est.
    • 82 °C

    Solubility expt.

    • Soluble in chloroform
    • Insoluble in water.
    • Solubility in water, g/100ml at 25 °C: (very poor)

  • Synonyms

    • 2,6-DICHLOROTOLUENE
    • 118-69-4
    • 1,3-Dichloro-2-methylbenzene
    • Benzene, 1,3-dichloro-2-methyl-
    • Toluene, 2,6-dichloro-
    • 1,3-dichloro-2-methyl-benzene
    • UNII-RVM09757WW
    • RVM09757WW
    • DTXSID3040697
    • HSDB 4020
    • EINECS 204-269-7
    • NSC 60722
    • NSC-60722
    • AI3-26487
    • DTXCID1020697
    • EC 204-269-7
    • 2,6-Dichloro-toluene; 1,3-Dichloro-2-methylbenzene; 2,6-Dichloro-1-methylbenzene; 2,6-Dichlorotoluene; NSC 60722; Isoconazole Impurity 10
    • NSC60722
    • Toluene,6-dichloro-
    • Benzene,dichloromethyl-
    • Toluene, 2,6dichloro
    • 2 pound not6-Dichlorotoluene
    • Benzene, 1,3dichloro2methyl
    • SCHEMBL112040
    • Benzene,3-dichloro-2-methyl-
    • CHEMBL3182206
    • 2,6-Dichlorotoluene, >=99%
    • Toluene, 2,6-dichloro-(8CI)
    • 1,3-Dichloro-2-methylbenzene #
    • STR01117
    • Tox21_302049
    • MFCD00000576
    • AKOS009158798
    • 2,6-Dichlorotoluene, analytical standard
    • NCGC00163990-01
    • NCGC00255492-01
    • CAS-118-69-4
    • DB-030806
    • D0422
    • NS00001271
    • EN300-30895
    • 2,6-Dichlorotoluene 100 microg/mL in Methanol
    • A804075
    • Q27288309
    • Z317043666
    • 204-269-7

  • Applications

    2,6-Dichlorotoluene (CAS 118-69-4) is primarily used as an intermediate in the synthesis of other chlorinated aromatics. In industry, it serves as a building block for agrochemical intermediates (fertilizers and pesticides), and for dye and pigment chemistry, as well as pharmaceutical process chemistry. It is also employed in the formulation of specialty coatings and inks as a precursor to further substituted aromatics, and can be used to derive other chlorinated aromatics for polymers and plastics manufacturing. Its use is largely as an intermediate and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.66
    methanol 106.26
    isopropanol 89.82
    water 0.71
    ethyl acetate 205.22
    n-propanol 118.64
    acetone 211.69
    n-butanol 126.8
    acetonitrile 98.19
    DMF 268.31
    toluene 164.16
    isobutanol 84.02
    1,4-dioxane 454.35
    methyl acetate 187.92
    THF 520.9
    2-butanone 232.82
    n-pentanol 125.4
    sec-butanol 104.13
    n-hexane 34.07
    ethylene glycol 22.61
    NMP 303.95
    cyclohexane 37.68
    DMSO 191.56
    n-butyl acetate 244.59
    n-octanol 61.01
    chloroform 556.91
    n-propyl acetate 192.73
    acetic acid 107.59
    dichloromethane 510.52
    cyclohexanone 328.16
    propylene glycol 26.05
    isopropyl acetate 154.52
    DMAc 292.55
    2-ethoxyethanol 213.61
    isopentanol 114.63
    n-heptane 42.82
    ethyl formate 146.96
    1,2-dichloroethane 303.36
    n-hexanol 133.46
    2-methoxyethanol 216.77
    isobutyl acetate 138.13
    tetrachloromethane 157.26
    n-pentyl acetate 161.92
    transcutol 645.27
    n-heptanol 81.75
    ethylbenzene 106.16
    MIBK 157.05
    2-propoxyethanol 249.33
    tert-butanol 130.46
    MTBE 190.26
    2-butoxyethanol 165.68
    propionic acid 93.46
    o-xylene 119.59
    formic acid 47.14
    diethyl ether 233.49
    m-xylene 119.48
    p-xylene 130.42
    chlorobenzene 213.71
    dimethyl carbonate 98.94
    n-octane 17.66
    formamide 101.39
    cyclopentanone 348.47
    2-pentanone 206.6
    anisole 265.75
    cyclopentyl methyl ether 251.49
    gamma-butyrolactone 350.41
    1-methoxy-2-propanol 167.07
    pyridine 294.59
    3-pentanone 166.8
    furfural 385.14
    n-dodecane 12.2
    diethylene glycol 139.22
    diisopropyl ether 98.12
    tert-amyl alcohol 133.07
    acetylacetone 250.5
    n-hexadecane 14.08
    acetophenone 222.46
    methyl propionate 154.45
    isopentyl acetate 212.23
    trichloroethylene 608.75
    n-nonanol 64.41
    cyclohexanol 116.24
    benzyl alcohol 146.32
    2-ethylhexanol 109.83
    isooctanol 74.34
    dipropyl ether 190.05
    1,2-dichlorobenzene 226.6
    ethyl lactate 82.17
    propylene carbonate 211.89
    n-methylformamide 132.51
    2-pentanol 100.57
    n-pentane 31.82
    1-propoxy-2-propanol 194.25
    1-methoxy-2-propyl acetate 256.05
    2-(2-methoxypropoxy) propanol 191.16
    mesitylene 89.57
    ε-caprolactone 311.12
    p-cymene 91.38
    epichlorohydrin 463.89
    1,1,1-trichloroethane 367.54
    2-aminoethanol 52.76
    morpholine-4-carbaldehyde 424.4
    sulfolane 351.39
    2,2,4-trimethylpentane 24.75
    2-methyltetrahydrofuran 369.43
    n-hexyl acetate 163.26
    isooctane 22.01
    2-(2-butoxyethoxy)ethanol 247.1
    sec-butyl acetate 151.23
    tert-butyl acetate 211.59
    decalin 34.71
    glycerin 45.24
    diglyme 508.32
    acrylic acid 84.48
    isopropyl myristate 94.99
    n-butyric acid 147.35
    acetyl acetate 157.42
    di(2-ethylhexyl) phthalate 87.02
    ethyl propionate 159.85
    nitromethane 226.5
    1,2-diethoxyethane 373.08
    benzonitrile 172.56
    trioctyl phosphate 59.06
    1-bromopropane 198.77
    gamma-valerolactone 514.56
    n-decanol 52.28
    triethyl phosphate 124.52
    4-methyl-2-pentanol 73.01
    propionitrile 115.06
    vinylene carbonate 229.61
    1,1,2-trichlorotrifluoroethane 276.2
    DMS 162.73
    cumene 83.98
    2-octanol 58.77
    2-hexanone 202.24
    octyl acetate 104.74
    limonene 119.75
    1,2-dimethoxyethane 426.04
    ethyl orthosilicate 132.63
    tributyl phosphate 81.59
    diacetone alcohol 186.68
    N,N-dimethylaniline 178.04
    acrylonitrile 125.61
    aniline 153.43
    1,3-propanediol 93.35
    bromobenzene 245.17
    dibromomethane 329.6
    1,1,2,2-tetrachloroethane 419.25
    2-methyl-cyclohexyl acetate 176.75
    tetrabutyl urea 101.57
    diisobutyl methanol 83.93
    2-phenylethanol 163.21
    styrene 129.07
    dioctyl adipate 129.66
    dimethyl sulfate 148.75
    ethyl butyrate 212.97
    methyl lactate 74.78
    butyl lactate 105.01
    diethyl carbonate 155.77
    propanediol butyl ether 104.07
    triethyl orthoformate 179.18
    p-tert-butyltoluene 94.81
    methyl 4-tert-butylbenzoate 189.53
    morpholine 402.13
    tert-butylamine 95.29
    n-dodecanol 44.58
    dimethoxymethane 263.14
    ethylene carbonate 189.48
    cyrene 211.39
    2-ethoxyethyl acetate 259.76
    2-ethylhexyl acetate 194.03
    1,2,4-trichlorobenzene 254.99
    4-methylpyridine 309.65
    dibutyl ether 131.52
    2,6-dimethyl-4-heptanol 83.93
    DEF 235.31
    dimethyl isosorbide 404.97
    tetrachloroethylene 318.85
    eugenol 192.04
    triacetin 189.43
    span 80 148.06
    1,4-butanediol 51.3
    1,1-dichloroethane 286.96
    2-methyl-1-pentanol 124.31
    methyl formate 116.0
    2-methyl-1-butanol 107.23
    n-decane 18.3
    butyronitrile 140.99
    3,7-dimethyl-1-octanol 79.3
    1-chlorooctane 64.52
    1-chlorotetradecane 34.46
    n-nonane 16.96
    undecane 14.35
    tert-butylcyclohexane 37.04
    cyclooctane 21.42
    cyclopentanol 118.12
    tetrahydropyran 333.07
    tert-amyl methyl ether 172.93
    2,5,8-trioxanonane 390.04
    1-hexene 92.43
    2-isopropoxyethanol 176.73
    2,2,2-trifluoroethanol 64.45
    methyl butyrate 198.24

    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