Chlorfenson

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  • Identifiers

    CAS number
    80-33-1

    Molecular formula
    C12H8Cl2O3S

    SMILES
    C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 52.64%
    Phenolic 24.41%
    Bitter 23.46%
    Grape 23.2%
    Cooked 23.07%
    Burnt 21.78%
    Floral 21.33%
    Fruity 20.29%
    Roasted 19.31%
    Meaty 19.24%

     

    Flavor
    Bitter 78.67%
    Odorless 29.14%
    Nitrile 22.19%
    Mild 21.54%
    Very strong 20.26%
    Indole 19.94%
    Bread crust 19.27%
    Moth ball 19.19%
    Taco 18.97%
    Urine 18.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.94 (weak base)

    Molecular weight
    303.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    418°C

    Melting point expt.

    • 86.5 °C
    • WHITE TO TAN FLAKY SOLID; MP: APPROX 80 °C /TECHNICAL/

    Flash point

    • 195.39 ˚C est.

    Solubility expt.

    • PRACTICALLY INSOL IN WATER; SOL @ 25 °C IN G/100 ML: 1.4 G IN 95% ALCOHOL; 41.0 G IN CARBON TETRACHLORIDE; 110.0 G IN CYCLOHEXANONE; 110.0 G IN ETHYLENE DICHLORIDE; 2.0-2.7 G IN PETROLEUM OILS; 130.0 G IN ACETONE; 78 G IN XYLENE
    • SOLUBLE IN AROMATIC SOLVENTS, ACETONE; INSOLUBLE IN WATER
    • SOL IN 100 G SOLVENT @ 25 °C: 1 G IN ETHYL ALC; 2 G IN KEROSENE

  • Synonyms

    • Chlorfenson
    • Ovex
    • 80-33-1
    • Orthotran
    • Difenson
    • Ovochlor
    • Estonmite
    • Ovatran
    • Ovotox
    • Ovotran
    • Ester sulfonate
    • Benzolsulfonate
    • Chlorofenizon
    • Ephirsulphonate
    • Ethersulfonate
    • Trichlorfenson
    • Chlorfensin
    • Corotran
    • Niagaratran
    • Orochlor
    • Sappilan
    • Sappiran
    • Erysit
    • Otracid
    • Lethalaire G-58
    • CPCBS
    • PCPCBS
    • Genite 883
    • Chloorfenson
    • Chlorofensone
    • Danicut
    • Acaricydol E 20
    • 4-CHLOROPHENYL 4-CHLOROBENZENESULFONATE
    • Chlorobenzolsulfonate
    • ONEX
    • Miticide K-101
    • Benzolsulfonat
    • Chlorefenizon
    • Chlorofenson
    • Chlorbenzolsulfonat
    • Trichlorfenson (Obs.)
    • Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester
    • D 854
    • Dow K-6,451
    • K 6451
    • p-Chlorophenyl p-chlorobenzenesulphonate
    • 4-Chlorophenyl 4-chlorobenzenesulphonate
    • C 1,006
    • p-Chlorobenzenesulfonic acid, p-chlorophenyl ester
    • LW65NJ3YWV
    • (4-Cloro-fenil)-4-cloro-venzol-solfonato
    • (4-Chlor-phenyl)-4-chlor-benzol-sulfonate
    • 4-Chlorobenzenesulfonate de 4-chlorophenyle
    • K-101
    • ENT 16,538
    • DTXSID5020310
    • Benzenesulfonic acid, p-chloro-, p-chlorophenyl ester
    • Parachlorophenyl parachlorobenzene sulfonate
    • 4-Chlorobenzenesulfonic acid, 4-chlorophenyl ester
    • DTXCID50310
    • 4-Chlorobenzenesulfonate de 4-chlorphenyle
    • 4-chlorophenyl 4-chlorobenzene-1-sulfonate
    • RefChem:575610
    • 201-270-4
    • Chlorfensonchlorofensone
    • p-Chlorophenyl p-chlorobenzenesulfonate
    • (4-chlorophenyl) 4-chlorobenzenesulfonate
    • Ovatron
    • C-854
    • Parachlorophenyl-parachlorobenzene-sulfonate
    • (4-Chloor-fenyl)-4-chloor-benzeen-sulfonaat
    • 4-Chlorphenyl-4'-chlorbenzolsulfonat
    • ENT 16,358
    • p-Chlorophenyl-p-chlorobenzene sulfonate
    • CCS
    • p-Chlorfenylester kyseliny p-chlorbenzensulfonove
    • Chloorfenson [Dutch]
    • Caswell No. 624
    • Ovex [ANSI]
    • Chlorefenizon [French]
    • Chlorfenson [BSI:ISO]
    • CAS-80-33-1
    • HSDB 2055
    • NSC 5618
    • EINECS 201-270-4
    • UNII-LW65NJ3YWV
    • EPA Pesticide Chemical Code 020201
    • BRN 2944674
    • AI3-16538
    • 4-Chlorphenyl-4'-chlorbenzolsulfonat [German]
    • 4-Chlorobenzenesulfonate de 4-chlorphenyle [French]
    • (4-Chloor-fenyl)-4-chloor-benzeen-sulfonaat [Dutch]
    • (4-Chlor-phenyl)-4-chlor-benzol-sulfonate [German]
    • (4-Cloro-fenil)-4-cloro-venzol-solfonato [Italian]
    • 4-Chlorobenzenesulfonate de 4-chlorophenyle [French]
    • p-Chlorfenylester kyseliny p-chlorbenzensulfonove [Czech]
    • CHLORFENSON [MI]
    • CHLORFENSON [ISO]
    • WLN: GR DSWOR DG
    • CHLORFENSON [HSDB]
    • 4-11-00-00109 (Beilstein Handbook Reference)
    • SCHEMBL116752
    • CHEMBL499017
    • orb1705962
    • CHEBI:82155
    • RZXLPPRPEOUENN-UHFFFAOYSA-
    • NSC5618
    • MSK25051
    • Tox21_201263
    • Tox21_302742
    • MFCD00055266
    • AKOS028110676
    • DB05377
    • 4-Chlorophenyl-4-chlorobenzene sulfonate
    • NCGC00249010-01
    • NCGC00256598-01
    • NCGC00258815-01
    • HY-121157
    • CS-0079565
    • NS00005538
    • C19024
    • Chlorfenson, PESTANAL(R), analytical standard
    • Benzenesulfonic acid, p-chloro-, p-chlorophenylester
    • Q2964122
    • BRD-K89409436-001-01-4
    • InChI=1/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
    • 80-33-1

  • Applications

    Chlorfenson, CAS 80-33-1, is commonly used as an intermediate in chemical synthesis and may function as a solvent or processing aid in various steps. It is often employed as a precursor for specialty chemicals and as an additive in polymers, resins, and related formulations. It is also used as a solvent or processing component in coatings, inks, and adhesives to aid mixing and compatibility of formulation components. It may be considered for use in industrial cleaning formulations or as a process chemical in formulated systems, depending on conditions and regulatory limits. Use depends on local regulations and formulation constraints, and handling should follow applicable safety requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.42
    methanol 5.42
    isopropanol 10.04
    water 0.01
    ethyl acetate 156.2
    n-propanol 16.78
    acetone 135.23
    n-butanol 19.01
    acetonitrile 67.2
    DMF 185.02
    toluene 46.58
    isobutanol 9.84
    1,4-dioxane 130.56
    methyl acetate 159.51
    THF 257.5
    2-butanone 322.3
    n-pentanol 21.72
    sec-butanol 50.11
    n-hexane 0.31
    ethylene glycol 1.11
    NMP 139.2
    cyclohexane 1.6
    DMSO 41.33
    n-butyl acetate 149.37
    n-octanol 44.36
    chloroform 150.44
    n-propyl acetate 134.06
    acetic acid 22.0
    dichloromethane 126.78
    cyclohexanone 269.0
    propylene glycol 5.34
    isopropyl acetate 112.23
    DMAc 408.14
    2-ethoxyethanol 58.51
    isopentanol 17.09
    n-heptane 2.37
    ethyl formate 60.5
    1,2-dichloroethane 68.48
    n-hexanol 29.03
    2-methoxyethanol 59.5
    isobutyl acetate 56.09
    tetrachloromethane 3.1
    n-pentyl acetate 103.19
    transcutol 374.62
    n-heptanol 25.29
    ethylbenzene 36.85
    MIBK 87.15
    2-propoxyethanol 84.07
    tert-butanol 16.5
    MTBE 62.82
    2-butoxyethanol 64.93
    propionic acid 22.76
    o-xylene 33.26
    formic acid 5.08
    diethyl ether 53.02
    m-xylene 23.3
    p-xylene 41.6
    chlorobenzene 55.62
    dimethyl carbonate 46.57
    n-octane 1.96
    formamide 30.03
    cyclopentanone 230.61
    2-pentanone 175.8
    anisole 141.52
    cyclopentyl methyl ether 72.42
    gamma-butyrolactone 185.9
    1-methoxy-2-propanol 67.43
    pyridine 196.84
    3-pentanone 162.67
    furfural 188.7
    n-dodecane 3.69
    diethylene glycol 29.84
    diisopropyl ether 17.73
    tert-amyl alcohol 52.5
    acetylacetone 238.45
    n-hexadecane 4.45
    acetophenone 156.15
    methyl propionate 114.87
    isopentyl acetate 103.44
    trichloroethylene 255.71
    n-nonanol 46.93
    cyclohexanol 37.49
    benzyl alcohol 57.55
    2-ethylhexanol 31.6
    isooctanol 21.61
    dipropyl ether 54.8
    1,2-dichlorobenzene 55.64
    ethyl lactate 42.89
    propylene carbonate 102.19
    n-methylformamide 46.21
    2-pentanol 25.69
    n-pentane 0.42
    1-propoxy-2-propanol 87.76
    1-methoxy-2-propyl acetate 148.78
    2-(2-methoxypropoxy) propanol 121.79
    mesitylene 14.27
    ε-caprolactone 211.82
    p-cymene 29.93
    epichlorohydrin 231.63
    1,1,1-trichloroethane 54.66
    2-aminoethanol 5.03
    morpholine-4-carbaldehyde 222.8
    sulfolane 118.68
    2,2,4-trimethylpentane 1.5
    2-methyltetrahydrofuran 152.64
    n-hexyl acetate 126.19
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 145.72
    sec-butyl acetate 107.01
    tert-butyl acetate 123.77
    decalin 2.43
    glycerin 9.39
    diglyme 244.82
    acrylic acid 18.12
    isopropyl myristate 68.57
    n-butyric acid 39.87
    acetyl acetate 96.39
    di(2-ethylhexyl) phthalate 42.73
    ethyl propionate 116.67
    nitromethane 138.73
    1,2-diethoxyethane 196.23
    benzonitrile 105.93
    trioctyl phosphate 30.0
    1-bromopropane 39.62
    gamma-valerolactone 323.26
    n-decanol 36.39
    triethyl phosphate 45.13
    4-methyl-2-pentanol 14.82
    propionitrile 58.25
    vinylene carbonate 101.08
    1,1,2-trichlorotrifluoroethane 98.2
    DMS 98.48
    cumene 19.99
    2-octanol 35.04
    2-hexanone 171.24
    octyl acetate 79.12
    limonene 46.3
    1,2-dimethoxyethane 207.53
    ethyl orthosilicate 40.82
    tributyl phosphate 42.84
    diacetone alcohol 102.38
    N,N-dimethylaniline 75.54
    acrylonitrile 84.46
    aniline 42.38
    1,3-propanediol 12.44
    bromobenzene 58.6
    dibromomethane 59.91
    1,1,2,2-tetrachloroethane 151.98
    2-methyl-cyclohexyl acetate 93.66
    tetrabutyl urea 82.06
    diisobutyl methanol 21.18
    2-phenylethanol 74.31
    styrene 49.72
    dioctyl adipate 86.41
    dimethyl sulfate 58.11
    ethyl butyrate 129.01
    methyl lactate 41.19
    butyl lactate 70.49
    diethyl carbonate 67.84
    propanediol butyl ether 69.6
    triethyl orthoformate 76.27
    p-tert-butyltoluene 26.53
    methyl 4-tert-butylbenzoate 96.72
    morpholine 136.34
    tert-butylamine 8.46
    n-dodecanol 28.34
    dimethoxymethane 107.5
    ethylene carbonate 72.2
    cyrene 92.77
    2-ethoxyethyl acetate 152.8
    2-ethylhexyl acetate 92.53
    1,2,4-trichlorobenzene 72.5
    4-methylpyridine 174.82
    dibutyl ether 83.57
    2,6-dimethyl-4-heptanol 21.18
    DEF 196.2
    dimethyl isosorbide 213.64
    tetrachloroethylene 63.08
    eugenol 113.8
    triacetin 124.46
    span 80 86.13
    1,4-butanediol 6.02
    1,1-dichloroethane 58.98
    2-methyl-1-pentanol 31.27
    methyl formate 40.04
    2-methyl-1-butanol 23.77
    n-decane 5.53
    butyronitrile 57.92
    3,7-dimethyl-1-octanol 42.96
    1-chlorooctane 29.05
    1-chlorotetradecane 14.0
    n-nonane 4.21
    undecane 4.52
    tert-butylcyclohexane 1.88
    cyclooctane 0.73
    cyclopentanol 29.39
    tetrahydropyran 126.3
    tert-amyl methyl ether 91.47
    2,5,8-trioxanonane 200.28
    1-hexene 7.33
    2-isopropoxyethanol 50.77
    2,2,2-trifluoroethanol 10.21
    methyl butyrate 157.71

    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