2,4-Dichloro-3,5-dimethylphenol

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  • Identifiers

    CAS number
    133-53-9

    Molecular formula
    C8H8Cl2O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 60.68%
    Burnt 39.92%
    Smoky 38.59%
    Woody 36.32%
    Spicy 35.62%
    Medicinal 30.62%
    Dry 30.47%
    Odorless 25.8%
    Leathery 25.41%
    Sweet 24.05%

     

    Flavor
    Bitter 56.99%
    Mild 28.59%
    Odorless 27.8%
    Phenolic 24.54%
    Flat 22.21%
    Soybean 21.78%
    Very strong 21.64%
    Roasted 21.32%
    Indole 21.31%
    Shellfish 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.94 (neutral)

    Molecular weight
    191.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Melting point expt.

    • 95-96 °C

    Flash point

    • 120.54 ˚C est.

    Solubility expt.

    • IN WATER 1:5000
    • AT 15 °C IN 100 PARTS OF SOLVENT: 14 PARTS BENZENE; 15 PARTS TOLUENE; 73 PARTS ACETONE; 59 PARTS DIETHYL KETONE; 4 PARTS PETROLEUM ETHER; 10 PARTS CARBON TETRACHLORIDE; 25 PARTS CHLOROFORM

  • Synonyms

    • 2,4-Dichloro-3,5-dimethylphenol
    • 133-53-9
    • Dichloroxylenol
    • DCMX
    • Decasept
    • Ottacide
    • Hewsol
    • Prinsyl
    • Dixol
    • Phenol, 2,4-dichloro-3,5-dimethyl-
    • 2,4-DICHLORO-3,5-XYLENOL
    • Dicloroxilenol
    • Dicloroxilenolo
    • Dichlorxylenolum
    • Dichloroxylenolum
    • 3,5-Xylenol, 2,4-dichloro-
    • NSC-9774
    • 2,4-Dichloro-M,5-xylenol
    • 51AC49OLT7
    • DTXSID0041359
    • DTXCID8021359
    • Benzene, 2,4-dichloro-1,3-dimethyl-5-hydroxy-
    • Dichlorometaxylenol
    • RefChem:133097
    • 205-109-9
    • Dichloro-m-xylenol
    • 2,4-Dichloro-m-xylenol
    • 3,5-Dimethyl-2,4-dichlorophenol
    • MFCD00019981
    • NSC 9774
    • 3, 2,4-dichloro-
    • Phenol,4-dichloro-3,5-dimethyl-
    • Phenol, dichloro-3,5-dimethyl-
    • Dicloroxilenolo [DCIT]
    • UNII-51AC49OLT7
    • Dicloroxilenol [INN-Spanish]
    • Dichloroxylenolum [INN-Latin]
    • Nipacide DX
    • Dichloroxylenol [INN:BAN:DCF]
    • HSDB 2778
    • 2,4-dichloro-3,5-dimethyl-phenol
    • EINECS 205-109-9
    • AI3-24011
    • DICHLOROXYLENOL [MI]
    • 2,4-Dichloro-sym-m-xylenol
    • DICHLOROXYLENOL [INN]
    • DICHLOROXYLENOL [HSDB]
    • SCHEMBL574277
    • orb1705328
    • orb3025680
    • DICHLOROXYLENOL [MART.]
    • CHEMBL2104302
    • DICHLOROXYLENOL [WHO-DD]
    • SCHEMBL29367847
    • MSK2542
    • NSC9774
    • Tox21_301201
    • NSC120320
    • SBB005831
    • STL183320
    • Phenol, 2,4-dichloro-3,5-dimethyl
    • AKOS005264376
    • AS-9406
    • NSC-120320
    • NCGC00248333-01
    • NCGC00248333-02
    • NCGC00255098-01
    • CAS-133-53-9
    • ST081334
    • DB-042186
    • CS-0199306
    • D1109
    • NS00004604
    • E78811
    • F329240
    • SR-01000945009
    • SR-01000945009-1
    • Q27260885
    • 133-53-9

  • Applications

    2,4-Dichloro-3,5-dimethylphenol, CAS 133-53-9, is primarily used as an organic synthesis intermediate in several industries, including agrochemicals, dyes/pigments, and pharmaceutical building blocks. It may also serve as a polymer processing additive, functioning as a stabilizer or antioxidant to improve durability and processing of plastics and coatings. In coatings and inks formulations, it can act as a precursor or functional additive. The compound is also encountered in research and development work for industrial formulations and specialty products, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 255.23
    methanol 219.57
    isopropanol 184.08
    water 0.5
    ethyl acetate 313.08
    n-propanol 226.24
    acetone 384.12
    n-butanol 216.96
    acetonitrile 146.68
    DMF 639.94
    toluene 178.24
    isobutanol 140.57
    1,4-dioxane 832.03
    methyl acetate 253.53
    THF 1566.82
    2-butanone 298.02
    n-pentanol 180.87
    sec-butanol 162.35
    n-hexane 43.23
    ethylene glycol 51.35
    NMP 463.62
    cyclohexane 36.88
    DMSO 408.61
    n-butyl acetate 255.39
    n-octanol 87.62
    chloroform 452.4
    n-propyl acetate 229.09
    acetic acid 145.3
    dichloromethane 428.93
    cyclohexanone 440.87
    propylene glycol 50.81
    isopropyl acetate 199.42
    DMAc 289.03
    2-ethoxyethanol 349.1
    isopentanol 167.35
    n-heptane 45.89
    ethyl formate 194.2
    1,2-dichloroethane 333.41
    n-hexanol 228.26
    2-methoxyethanol 461.69
    isobutyl acetate 142.04
    tetrachloromethane 128.78
    n-pentyl acetate 178.08
    transcutol 543.3
    n-heptanol 121.56
    ethylbenzene 100.76
    MIBK 219.11
    2-propoxyethanol 470.55
    tert-butanol 252.57
    MTBE 287.49
    2-butoxyethanol 238.31
    propionic acid 121.86
    o-xylene 96.21
    formic acid 68.79
    diethyl ether 422.03
    m-xylene 138.53
    p-xylene 112.78
    chlorobenzene 189.97
    dimethyl carbonate 165.34
    n-octane 17.51
    formamide 161.47
    cyclopentanone 659.94
    2-pentanone 330.29
    anisole 265.94
    cyclopentyl methyl ether 526.36
    gamma-butyrolactone 657.59
    1-methoxy-2-propanol 391.34
    pyridine 378.91
    3-pentanone 218.8
    furfural 474.25
    n-dodecane 11.18
    diethylene glycol 300.4
    diisopropyl ether 128.76
    tert-amyl alcohol 193.04
    acetylacetone 350.78
    n-hexadecane 12.99
    acetophenone 190.43
    methyl propionate 258.78
    isopentyl acetate 206.52
    trichloroethylene 571.0
    n-nonanol 86.25
    cyclohexanol 205.49
    benzyl alcohol 177.25
    2-ethylhexanol 131.45
    isooctanol 101.0
    dipropyl ether 216.06
    1,2-dichlorobenzene 169.04
    ethyl lactate 105.7
    propylene carbonate 282.51
    n-methylformamide 280.96
    2-pentanol 161.99
    n-pentane 41.49
    1-propoxy-2-propanol 295.79
    1-methoxy-2-propyl acetate 291.41
    2-(2-methoxypropoxy) propanol 168.62
    mesitylene 92.94
    ε-caprolactone 388.24
    p-cymene 79.49
    epichlorohydrin 793.34
    1,1,1-trichloroethane 312.47
    2-aminoethanol 110.41
    morpholine-4-carbaldehyde 583.92
    sulfolane 600.81
    2,2,4-trimethylpentane 21.91
    2-methyltetrahydrofuran 730.92
    n-hexyl acetate 189.41
    isooctane 24.88
    2-(2-butoxyethoxy)ethanol 267.53
    sec-butyl acetate 150.32
    tert-butyl acetate 273.73
    decalin 31.46
    glycerin 87.26
    diglyme 495.59
    acrylic acid 109.03
    isopropyl myristate 95.39
    n-butyric acid 200.89
    acetyl acetate 173.96
    di(2-ethylhexyl) phthalate 79.11
    ethyl propionate 210.29
    nitromethane 347.06
    1,2-diethoxyethane 312.99
    benzonitrile 168.42
    trioctyl phosphate 66.99
    1-bromopropane 214.45
    gamma-valerolactone 775.52
    n-decanol 68.18
    triethyl phosphate 106.27
    4-methyl-2-pentanol 110.68
    propionitrile 145.07
    vinylene carbonate 280.72
    1,1,2-trichlorotrifluoroethane 324.44
    DMS 169.72
    cumene 71.48
    2-octanol 87.74
    2-hexanone 227.1
    octyl acetate 111.28
    limonene 108.08
    1,2-dimethoxyethane 545.83
    ethyl orthosilicate 111.86
    tributyl phosphate 78.15
    diacetone alcohol 281.43
    N,N-dimethylaniline 166.0
    acrylonitrile 177.87
    aniline 189.52
    1,3-propanediol 202.71
    bromobenzene 193.36
    dibromomethane 287.39
    1,1,2,2-tetrachloroethane 394.89
    2-methyl-cyclohexyl acetate 159.16
    tetrabutyl urea 104.74
    diisobutyl methanol 95.54
    2-phenylethanol 206.39
    styrene 123.16
    dioctyl adipate 117.37
    dimethyl sulfate 230.66
    ethyl butyrate 194.59
    methyl lactate 124.54
    butyl lactate 120.25
    diethyl carbonate 130.48
    propanediol butyl ether 153.65
    triethyl orthoformate 148.33
    p-tert-butyltoluene 90.46
    methyl 4-tert-butylbenzoate 181.98
    morpholine 791.29
    tert-butylamine 157.18
    n-dodecanol 53.75
    dimethoxymethane 617.58
    ethylene carbonate 234.9
    cyrene 206.76
    2-ethoxyethyl acetate 251.87
    2-ethylhexyl acetate 171.43
    1,2,4-trichlorobenzene 190.3
    4-methylpyridine 359.35
    dibutyl ether 129.13
    2,6-dimethyl-4-heptanol 95.54
    DEF 325.7
    dimethyl isosorbide 372.54
    tetrachloroethylene 292.76
    eugenol 191.81
    triacetin 159.03
    span 80 158.37
    1,4-butanediol 89.54
    1,1-dichloroethane 279.5
    2-methyl-1-pentanol 144.84
    methyl formate 252.36
    2-methyl-1-butanol 148.73
    n-decane 19.28
    butyronitrile 174.28
    3,7-dimethyl-1-octanol 91.13
    1-chlorooctane 70.97
    1-chlorotetradecane 32.21
    n-nonane 18.46
    undecane 14.27
    tert-butylcyclohexane 33.99
    cyclooctane 20.25
    cyclopentanol 258.7
    tetrahydropyran 693.2
    tert-amyl methyl ether 217.59
    2,5,8-trioxanonane 321.77
    1-hexene 127.74
    2-isopropoxyethanol 237.29
    2,2,2-trifluoroethanol 86.96
    methyl butyrate 231.94

    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