2-Chlorophenol

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  • Identifiers

    CAS number
    95-57-8

    Molecular formula
    C6H5ClO

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 86.21%
    Medicinal 62.27%
    Smoky 61.09%
    Burnt 50.93%
    Spicy 42.45%
    Sweet 41.61%
    Meaty 34.23%
    Vanilla 32.49%
    Leathery 31.39%
    Musty 29.89%

     

    Flavor
    Phenolic 62.18%
    Meaty 38.74%
    Medicinal 37.64%
    Mild 34.68%
    Sulfurous 32.3%
    Phenol 30.64%
    Bitter 27.16%
    Smoke 25.92%
    Egg 24.67%
    Garlic 24.44%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.0036 [mmHg]. [ICSC] Odor threshold (threshold concentration) from CHEMINFO
    • Odor detection in air: 1.8x10-4 mg/l (gas), in water: 1.24 ppm, chemically pure /Chlorophenol/
    • 2 ug/L in water at 25 °C /Table/
    • 10 ug/L in water at 20-22 °C /Table/
    • 0.33 ug/L in water at 30 °C /Table/

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.22 (weak base)

    Molecular weight
    128.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 48.2 °F (NTP, 1992)
    • 9.8 °C
    • MP: 7 °C (ALPHA), 0 °C (BETA), 4.1 °C (GAMMA)
    • 9.3-9.8 °C

    Boiling point

    • 347 to 349 °F at 760 mmHg (NTP, 1992)
    • 174.9 °C at 760 mm Hg
    • 175 °C

    Flash point

    • 77.53 ˚C est.
    • 147 °F (NTP, 1992)
    • 64 °C
    • 64 °C (147 °F) CLOSED CUP
    • 64 °C c.c.

    Solubility expt.

    • 10 to 50 mg/mL at 59 °F (NTP, 1992)
    • Sol in ethanol, ethyl ether; slightly soluble in chloroform; very sol in benzene
    • Sol in aqueous sodium hydroxide, alcohol, ether
    • 2.85 PARTS SOL IN 100 PARTS WATER @ 20 °C
    • Freely soluble in alcohol, ether, caustic alkali solutions
    • For more Solubility (Complete) data for 2-CHLOROPHENOL (6 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 20 °C: 2.85

  • Synonyms

    • 2-CHLOROPHENOL
    • 95-57-8
    • o-Chlorophenol
    • Phenol, 2-chloro-
    • 2-Hydroxychlorobenzene
    • o-Chlorphenol
    • 2-Chloro-1-hydroxybenzene
    • o-Chlorophenic acid
    • Phenol, o-chloro-
    • CHLOROPHENOL
    • 2-chloro-phenol
    • RCRA waste number U048
    • NSC 2870
    • MFCD00002159
    • K9KAV4K6BN
    • 1-Chloro-2-hydroxybenzene
    • DTXSID5021544
    • CHEBI:47083
    • NSC-2870
    • Septi-Kleen
    • 2-Chlorophenol, >=99%
    • Pine-O Disinfectant
    • DTXCID901544
    • Caswell No. 203
    • o-Chlorphenol [German]
    • ortho-chlorophenol
    • CAS-95-57-8
    • 25167-80-0
    • 2CH
    • CCRIS 640
    • HSDB 1415
    • EINECS 202-433-2
    • UNII-K9KAV4K6BN
    • RCRA waste no. U048
    • EPA Pesticide Chemical Code 062204
    • orthochlorophenol
    • AI3-09060
    • 2-chloro phenol
    • 1wbo
    • o-Chlorophenol, solid
    • o-Chlorophenol, liquid
    • PHENOL,2-CHLORO
    • 2-Chlorophenol, 98%
    • WLN: QR BG
    • 2-Chlorophenol (2-CP)
    • EC 202-433-2
    • O-CHLOROPHENOL [MI]
    • SCHEMBL12279
    • MLS002454425
    • BIDD:ER0681
    • 2-CHLOROPHENOL [HSDB]
    • CHEMBL108877
    • BDBM36301
    • NSC2870
    • HMS2267F05
    • CS-D1478
    • Tox21_201410
    • Tox21_300340
    • STL281867
    • AKOS000118966
    • DB03110
    • FC38843
    • NCGC00091286-01
    • NCGC00091286-02
    • NCGC00091286-03
    • NCGC00254422-01
    • NCGC00258961-01
    • 2-Chlorophenol 10 microg/mL in Methanol
    • PD007376
    • PS-11957
    • SMR000112048
    • 2-Chlorophenol 100 microg/mL in Methanol
    • DB-057591
    • NS00002157
    • 2-Chlorophenol, SAJ first grade, >=99.0%
    • EN300-19240
    • 2-Chlorophenol, PESTANAL(R), analytical standard
    • Q176486
    • F0001-2274
    • o-Chlorophenol, solid [UN2020] [Keep away from food]
    • Z104473270
    • 2-Chlorophenol, certified reference material, TraceCERT(R)
    • o-Chlorophenol, liquid [UN2021] [Keep away from food]
    • InChI=1/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8

  • Applications

    2-Chlorophenol (CAS 95-57-8) is used primarily as an industrial chemical intermediate, serving as a building block in the synthesis of agrochemicals (herbicides and pesticides), dyes and pigments, and pharmaceutical intermediates. It is also employed as a precursor in the production of specialty polymers and resins, and as a component in coatings and inks formulations. These applications reflect its role as a reactive building block in organic synthesis and formulation development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.07
    methanol 176.04
    isopropanol 127.88
    water 1.38
    ethyl acetate 148.54
    n-propanol 143.97
    acetone 161.16
    n-butanol 130.3
    acetonitrile 75.41
    DMF 199.41
    toluene 20.76
    isobutanol 92.7
    1,4-dioxane 305.17
    methyl acetate 164.72
    THF 412.22
    2-butanone 162.79
    n-pentanol 130.23
    sec-butanol 119.26
    n-hexane 9.87
    ethylene glycol 33.77
    NMP 173.44
    cyclohexane 6.94
    DMSO 249.68
    n-butyl acetate 190.17
    n-octanol 76.24
    chloroform 107.29
    n-propyl acetate 159.73
    acetic acid 167.1
    dichloromethane 84.16
    cyclohexanone 159.0
    propylene glycol 33.97
    isopropyl acetate 110.63
    DMAc 189.14
    2-ethoxyethanol 215.34
    isopentanol 117.72
    n-heptane 18.98
    ethyl formate 97.53
    1,2-dichloroethane 80.86
    n-hexanol 130.94
    2-methoxyethanol 222.7
    isobutyl acetate 102.85
    tetrachloromethane 23.38
    n-pentyl acetate 126.76
    transcutol 1028.13
    n-heptanol 79.43
    ethylbenzene 19.43
    MIBK 116.54
    2-propoxyethanol 232.29
    tert-butanol 182.83
    MTBE 161.67
    2-butoxyethanol 173.38
    propionic acid 110.48
    o-xylene 23.66
    formic acid 85.18
    diethyl ether 156.93
    m-xylene 25.98
    p-xylene 27.26
    chlorobenzene 35.79
    dimethyl carbonate 52.77
    n-octane 7.65
    formamide 172.0
    cyclopentanone 197.93
    2-pentanone 138.18
    anisole 92.19
    cyclopentyl methyl ether 135.86
    gamma-butyrolactone 256.2
    1-methoxy-2-propanol 175.62
    pyridine 101.84
    3-pentanone 88.03
    furfural 203.51
    n-dodecane 6.72
    diethylene glycol 159.11
    diisopropyl ether 63.46
    tert-amyl alcohol 163.79
    acetylacetone 160.79
    n-hexadecane 7.41
    acetophenone 88.61
    methyl propionate 100.98
    isopentyl acetate 155.52
    trichloroethylene 162.49
    n-nonanol 72.12
    cyclohexanol 76.46
    benzyl alcohol 69.39
    2-ethylhexanol 85.52
    isooctanol 71.0
    dipropyl ether 116.71
    1,2-dichlorobenzene 40.35
    ethyl lactate 72.43
    propylene carbonate 144.35
    n-methylformamide 137.73
    2-pentanol 103.87
    n-pentane 10.15
    1-propoxy-2-propanol 193.38
    1-methoxy-2-propyl acetate 177.23
    2-(2-methoxypropoxy) propanol 202.77
    mesitylene 23.96
    ε-caprolactone 192.25
    p-cymene 33.47
    epichlorohydrin 257.52
    1,1,1-trichloroethane 73.05
    2-aminoethanol 78.37
    morpholine-4-carbaldehyde 286.84
    sulfolane 252.7
    2,2,4-trimethylpentane 10.53
    2-methyltetrahydrofuran 245.39
    n-hexyl acetate 152.39
    isooctane 11.24
    2-(2-butoxyethoxy)ethanol 289.39
    sec-butyl acetate 112.11
    tert-butyl acetate 165.35
    decalin 8.33
    glycerin 63.84
    diglyme 497.37
    acrylic acid 91.25
    isopropyl myristate 72.11
    n-butyric acid 152.73
    acetyl acetate 89.61
    di(2-ethylhexyl) phthalate 56.68
    ethyl propionate 102.64
    nitromethane 269.34
    1,2-diethoxyethane 315.69
    benzonitrile 69.19
    trioctyl phosphate 49.33
    1-bromopropane 53.17
    gamma-valerolactone 305.5
    n-decanol 56.04
    triethyl phosphate 66.27
    4-methyl-2-pentanol 76.41
    propionitrile 72.32
    vinylene carbonate 115.97
    1,1,2-trichlorotrifluoroethane 170.76
    DMS 108.91
    cumene 23.51
    2-octanol 60.86
    2-hexanone 155.12
    octyl acetate 83.54
    limonene 47.9
    1,2-dimethoxyethane 326.56
    ethyl orthosilicate 70.29
    tributyl phosphate 64.38
    diacetone alcohol 202.72
    N,N-dimethylaniline 68.4
    acrylonitrile 83.68
    aniline 43.79
    1,3-propanediol 121.16
    bromobenzene 27.79
    dibromomethane 56.29
    1,1,2,2-tetrachloroethane 124.11
    2-methyl-cyclohexyl acetate 105.25
    tetrabutyl urea 76.74
    diisobutyl methanol 70.08
    2-phenylethanol 93.14
    styrene 22.01
    dioctyl adipate 99.2
    dimethyl sulfate 90.75
    ethyl butyrate 136.26
    methyl lactate 69.28
    butyl lactate 104.34
    diethyl carbonate 84.09
    propanediol butyl ether 152.54
    triethyl orthoformate 105.57
    p-tert-butyltoluene 34.46
    methyl 4-tert-butylbenzoate 116.83
    morpholine 306.57
    tert-butylamine 100.37
    n-dodecanol 44.59
    dimethoxymethane 176.59
    ethylene carbonate 99.57
    cyrene 142.27
    2-ethoxyethyl acetate 190.78
    2-ethylhexyl acetate 121.95
    1,2,4-trichlorobenzene 53.15
    4-methylpyridine 87.43
    dibutyl ether 110.61
    2,6-dimethyl-4-heptanol 70.08
    DEF 154.19
    dimethyl isosorbide 310.36
    tetrachloroethylene 90.89
    eugenol 133.16
    triacetin 158.42
    span 80 147.76
    1,4-butanediol 60.84
    1,1-dichloroethane 71.14
    2-methyl-1-pentanol 117.42
    methyl formate 94.41
    2-methyl-1-butanol 104.63
    n-decane 10.64
    butyronitrile 83.05
    3,7-dimethyl-1-octanol 86.16
    1-chlorooctane 40.9
    1-chlorotetradecane 19.26
    n-nonane 9.77
    undecane 8.22
    tert-butylcyclohexane 11.62
    cyclooctane 4.33
    cyclopentanol 96.27
    tetrahydropyran 205.2
    tert-amyl methyl ether 121.9
    2,5,8-trioxanonane 363.16
    1-hexene 39.09
    2-isopropoxyethanol 172.94
    2,2,2-trifluoroethanol 73.74
    methyl butyrate 141.14

    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