Clorophene

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  • Identifiers

    CAS number
    120-32-1

    Molecular formula
    C13H11ClO

    SMILES
    C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 53.16%
    Floral 42.19%
    Spicy 38.55%
    Animal 37.54%
    Fruity 36.2%
    Sweet 32.66%
    Smoky 28.75%
    Medicinal 28.3%
    Leathery 27.44%
    Burnt 26.69%

     

    Flavor
    Phenolic 42.69%
    Sweet 39.81%
    Fruity 37.0%
    Bitter 32.41%
    Medicinal 31.3%
    Mild 29.8%
    Animal 22.41%
    Very strong 21.06%
    Guaiacol 21.04%
    Smoked 20.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.24 (weak base)

    Molecular weight
    218.68 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 119.3 °F (NTP, 1992)
    • 48.5 °C

    Boiling point

    • 320 to 324 °F at 3.5 mmHg (NTP, 1992)
    • 160-162 °C at 3.5 mm Hg

    Flash point

    • 162.55 ˚C est.
    • 370 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 61 °F (NTP, 1992)
    • Highly sol in alcohol and other org solvents
    • In water, 149 mg/L at 25 °C

  • Synonyms

    • 2-Benzyl-4-chlorophenol
    • 120-32-1
    • Clorophene
    • Clorofene
    • Chlorophene
    • O-BENZYL-P-CHLOROPHENOL
    • Phenol, 4-chloro-2-(phenylmethyl)-
    • Santophen 1
    • 5-Chloro-2-hydroxydiphenylmethane
    • 4-Chloro-2-benzylphenol
    • Neosabenyl
    • Septiphene
    • Benzylchlorophenol
    • Bio-Clave
    • Santophen I germicide
    • p-Chloro-o-benzylphenol
    • Santophen I
    • Santophen 1 flake
    • Clorofeno
    • Clorophene [USAN]
    • Ketolin H
    • Ketolin-H
    • o-Benzylchlorophenol
    • Orthobenzylparachlorophenol
    • Orthobenzyl-p-chlorophenol
    • Clorofenum
    • 4-Chloro-2-(phenylmethyl)phenol
    • Caswell No. 083
    • Clorofenum [INN-Latin]
    • 4-Chloro-alpha-phenyl-o-cresol
    • Clorofene [INN]
    • Clorofeno [INN-Spanish]
    • 2-benzyl-4-chloro-phenol
    • 4-Chloro-.alpha.-phenyl-o-cresol
    • NCI-C61201
    • ortho-benzyl-para-chlorophenol
    • Phenol, 4-chloro-2-benzyl-
    • NSC-59989
    • CCRIS 6205
    • HSDB 5179
    • Preventol BP
    • Nipacide BCP
    • o-Cresol, 4-chloro-alpha-phenyl-
    • 4-Chloro-alpha-phenyl-ortho-cresol
    • EINECS 204-385-8
    • NSC 59989
    • benzyl chloro phenol
    • EPA Pesticide Chemical Code 062201
    • Clorophene (USAN)
    • BRN 1959194
    • Santophen 1 (TN)
    • DTXSID5020154
    • AI3-08523
    • 7560BB0BO3
    • CLOROPHENE [MI]
    • NSC59989
    • CLOROPHENE [HSDB]
    • NSC 59989;Santophen
    • o-Cresol, 4-chloro-.alpha.-phenyl-
    • CLOROFENE [WHO-DD]
    • CLOROPHENE [MART.]
    • DTXCID30154
    • 2-Hydroxy-5-chlorodiphenylmethane
    • 4-06-00-04636 (Beilstein Handbook Reference)
    • chlorofene
    • NCGC00091532-02
    • NCGC00091532-04
    • Clorofenum (INN-Latin)
    • Clorofeno (INN-Spanish)
    • CLOROPHENE (MART.)
    • Sentiphene
    • Orthosan
    • CAS-120-32-1
    • MFCD00020140
    • 4-Chloro-2-benzyl phenol
    • Clorophen
    • BioClave
    • KetolinH
    • UNII-7560BB0BO3
    • oBenzylchlorophenol
    • oBenzylpchlorophenol
    • pChloroobenzylphenol
    • 2Benzyl4chlorophenol
    • 4Chloro2benzylphenol
    • Orthobenzylpchlorophenol
    • 4Chloroalphaphenylocresol
    • CHLOROPHENE, USAN
    • CHLOROPHENE [INCI]
    • oCresol, 4chloroalphaphenyl
    • WLN: QR DG B1R
    • 4Chloroalphaphenylorthocresol
    • orthobenzyl-para-chlorophenol
    • SANTOPHEN L GERMICIDE
    • 4Chloro2(phenylmethyl)phenol
    • SCHEMBL78119
    • 5Chloro2hydroxydiphenylmethane
    • SANTOPHEN 1 GERMICIDE
    • MLS002454423
    • Phenol, 4chloro2(phenylmethyl)
    • CHEMBL1328919
    • 2-Benzyl-4-chlorophenol, 95%
    • NCKMMSIFQUPKCK-UHFFFAOYSA-
    • 2-BENZYL-4-CHLORO PHENOL
    • CHEBI:228003
    • HMS3041D07
    • 4-chloranyl-2-(phenylmethyl)phenol
    • Tox21_111146
    • Tox21_202985
    • Tox21_400046
    • AKOS001434264
    • Tox21_111146_1
    • USEPA/OPP Pesticide Code: 062201
    • NCGC00091532-01
    • NCGC00091532-03
    • NCGC00091532-05
    • NCGC00091532-06
    • NCGC00260530-01
    • AC-10752
    • BS-20052
    • SMR000777843
    • DB-041547
    • HY-118547
    • B0812
    • CS-0066335
    • NS00008968
    • clorofene;chlorophene;2-benzyl-4-chlorophenol
    • EN300-21338
    • D03564

  • Applications

    Clorophene (CAS 120-32-1) is used primarily as an intermediate in the synthesis of specialty chemicals such as dyes, pigments, and certain agrochemical precursors; it can also function as a solvent or processing aid in industrial manufacturing; it serves as a building block for polymer and plastic formulations, enabling the introduction of chlorinated phenyl motifs; in coatings and inks, it is used as a processing solvent or reactive intermediate to support formulation flexibility; and it is occasionally evaluated for electronics-related and advanced materials processing as a solvent or precursor, with usage strictly governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.01
    methanol 156.26
    isopropanol 65.63
    water 0.09
    ethyl acetate 426.6
    n-propanol 122.87
    acetone 68.78
    n-butanol 93.38
    acetonitrile 125.37
    DMF 72.84
    toluene 133.26
    isobutanol 46.66
    1,4-dioxane 401.01
    methyl acetate 253.96
    THF 332.78
    2-butanone 235.79
    n-pentanol 70.71
    sec-butanol 78.64
    n-hexane 0.63
    ethylene glycol 22.08
    NMP 31.94
    cyclohexane 1.35
    DMSO 86.07
    n-butyl acetate 184.07
    n-octanol 30.41
    chloroform 278.27
    n-propyl acetate 171.76
    acetic acid 98.28
    dichloromethane 224.62
    cyclohexanone 123.86
    propylene glycol 45.03
    isopropyl acetate 157.28
    DMAc 209.45
    2-ethoxyethanol 214.72
    isopentanol 71.02
    n-heptane 2.91
    ethyl formate 109.75
    1,2-dichloroethane 180.71
    n-hexanol 74.36
    2-methoxyethanol 262.62
    isobutyl acetate 101.7
    tetrachloromethane 14.59
    n-pentyl acetate 75.64
    transcutol 1066.07
    n-heptanol 38.67
    ethylbenzene 70.58
    MIBK 93.73
    2-propoxyethanol 194.68
    tert-butanol 80.63
    MTBE 122.61
    2-butoxyethanol 109.17
    propionic acid 81.01
    o-xylene 56.8
    formic acid 32.09
    diethyl ether 176.53
    m-xylene 63.38
    p-xylene 53.52
    chlorobenzene 75.94
    dimethyl carbonate 87.96
    n-octane 1.35
    formamide 118.5
    cyclopentanone 125.0
    2-pentanone 153.98
    anisole 220.85
    cyclopentyl methyl ether 84.74
    gamma-butyrolactone 180.24
    1-methoxy-2-propanol 175.32
    pyridine 344.9
    3-pentanone 122.22
    furfural 199.59
    n-dodecane 1.72
    diethylene glycol 130.92
    diisopropyl ether 31.5
    tert-amyl alcohol 91.15
    acetylacetone 195.06
    n-hexadecane 2.02
    acetophenone 156.97
    methyl propionate 216.33
    isopentyl acetate 155.38
    trichloroethylene 494.57
    n-nonanol 31.33
    cyclohexanol 39.58
    benzyl alcohol 124.48
    2-ethylhexanol 54.11
    isooctanol 36.49
    dipropyl ether 86.94
    1,2-dichlorobenzene 70.37
    ethyl lactate 67.08
    propylene carbonate 119.88
    n-methylformamide 81.86
    2-pentanol 54.03
    n-pentane 0.66
    1-propoxy-2-propanol 142.25
    1-methoxy-2-propyl acetate 220.63
    2-(2-methoxypropoxy) propanol 144.13
    mesitylene 30.34
    ε-caprolactone 160.0
    p-cymene 34.63
    epichlorohydrin 376.76
    1,1,1-trichloroethane 114.12
    2-aminoethanol 63.19
    morpholine-4-carbaldehyde 171.59
    sulfolane 93.83
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 159.7
    n-hexyl acetate 92.01
    isooctane 2.53
    2-(2-butoxyethoxy)ethanol 215.05
    sec-butyl acetate 132.88
    tert-butyl acetate 149.03
    decalin 3.7
    glycerin 58.89
    diglyme 465.89
    acrylic acid 66.77
    isopropyl myristate 41.36
    n-butyric acid 137.91
    acetyl acetate 154.46
    di(2-ethylhexyl) phthalate 40.48
    ethyl propionate 152.31
    nitromethane 197.88
    1,2-diethoxyethane 295.07
    benzonitrile 106.31
    trioctyl phosphate 24.33
    1-bromopropane 60.71
    gamma-valerolactone 237.66
    n-decanol 23.84
    triethyl phosphate 58.2
    4-methyl-2-pentanol 40.94
    propionitrile 119.45
    vinylene carbonate 126.45
    1,1,2-trichlorotrifluoroethane 222.69
    DMS 111.03
    cumene 37.21
    2-octanol 24.65
    2-hexanone 131.43
    octyl acetate 46.6
    limonene 40.56
    1,2-dimethoxyethane 337.68
    ethyl orthosilicate 59.73
    tributyl phosphate 33.9
    diacetone alcohol 153.63
    N,N-dimethylaniline 98.33
    acrylonitrile 155.65
    aniline 108.1
    1,3-propanediol 105.29
    bromobenzene 78.35
    dibromomethane 104.5
    1,1,2,2-tetrachloroethane 289.99
    2-methyl-cyclohexyl acetate 91.5
    tetrabutyl urea 44.8
    diisobutyl methanol 39.3
    2-phenylethanol 115.63
    styrene 86.36
    dioctyl adipate 68.03
    dimethyl sulfate 81.49
    ethyl butyrate 154.46
    methyl lactate 73.78
    butyl lactate 68.69
    diethyl carbonate 101.64
    propanediol butyl ether 99.91
    triethyl orthoformate 99.26
    p-tert-butyltoluene 34.89
    methyl 4-tert-butylbenzoate 100.72
    morpholine 392.91
    tert-butylamine 37.83
    n-dodecanol 18.4
    dimethoxymethane 208.58
    ethylene carbonate 96.95
    cyrene 102.88
    2-ethoxyethyl acetate 173.8
    2-ethylhexyl acetate 115.26
    1,2,4-trichlorobenzene 99.91
    4-methylpyridine 215.09
    dibutyl ether 66.65
    2,6-dimethyl-4-heptanol 39.3
    DEF 131.81
    dimethyl isosorbide 243.37
    tetrachloroethylene 159.64
    eugenol 112.0
    triacetin 118.82
    span 80 90.39
    1,4-butanediol 35.74
    1,1-dichloroethane 117.76
    2-methyl-1-pentanol 76.29
    methyl formate 62.42
    2-methyl-1-butanol 68.38
    n-decane 2.58
    butyronitrile 107.54
    3,7-dimethyl-1-octanol 45.5
    1-chlorooctane 18.77
    1-chlorotetradecane 8.57
    n-nonane 1.97
    undecane 2.03
    tert-butylcyclohexane 4.93
    cyclooctane 0.84
    cyclopentanol 30.35
    tetrahydropyran 219.46
    tert-amyl methyl ether 100.87
    2,5,8-trioxanonane 295.88
    1-hexene 12.91
    2-isopropoxyethanol 136.33
    2,2,2-trifluoroethanol 30.38
    methyl butyrate 155.01

    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