Pentachlorophenol

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  • Identifiers

    CAS number
    87-86-5

    Molecular formula
    C6HCl5O

    SMILES
    C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 47.93%
    Phenolic 36.81%
    Burnt 31.39%
    Smoky 22.77%
    Dry 18.71%
    Animal 17.63%
    Medicinal 17.47%
    Spicy 16.9%
    Woody 16.4%
    Balsamic 14.0%

    Scent© AI

    Odor threshold>

    • Odor thresholds for PCP soln at 30 deg and 60 °C were 857 and 12,000 ug/l, respectively.
    • Detection: 1.6 mg/l.

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    266.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 376 °F (NTP, 1992)
    • 174 °C
    • 191 °C
    • 374 °F

    Boiling point

    • 588 to 590 °F at 760 mmHg (with decomposition) (NTP, 1992)
    • 309-310 °C (decomposes)
    • 588 °F (decomposes)
    • 588 °F (Decomposes)

    Flash point est.
    138.21 ˚C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Slightly soluble in ligroin; very soluble in diethyl ether
    • Soluble in most organic solvents, for example acetone 215 g/L at 20 °C. Slightly soluble in ... parafins.
    • Sol in dilute alkali, carbitol, cellosolve
    • Solubilities (g/100 g of solution at 20 °C): 2 g in carbon tetrachloride; 8.5 in o-dichlorobenzene; 3.1 g in diesel oil; 32 in pine oil; 1.5 in Stoddard solvent
    • For more Solubility (Complete) data for Pentachlorophenol (7 total), please visit the HSDB record page.
    • 0.014 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.001
    • 0.001%

  • Synonyms

    • pentachlorophenol
    • 87-86-5
    • 2,3,4,5,6-Pentachlorophenol
    • Chlorophen
    • Lauxtol
    • Permite
    • Penchlorol
    • Peratox
    • Phenol, pentachloro-
    • Pentachlorophenate
    • Permacide
    • Permagard
    • Santophen
    • Dowicide 7
    • Durotox
    • Fungifen
    • Liroprem
    • Pentacon
    • Permasan
    • Sinituho
    • Penwar
    • Glazd penta
    • Grundier arbezol
    • Penta-Kil
    • Chem-Tol
    • Term-i-trol
    • Pentachlorofenol
    • Pentachlorphenol
    • Santophen 20
    • Preventol P
    • Thompson's wood fix
    • PENTA
    • PCP (pesticide)
    • Chlon
    • Permatox penta
    • Lauxtol A
    • Dowicide EC-7
    • Pentaclorofenolo
    • Penta ready
    • Woodtreat A
    • Chem-Penta
    • Penta wr
    • Witophen P
    • Pol Nu
    • Permatox DP-2
    • Santobrite
    • Priltox
    • Pentachloorfenol
    • Dowcide 7
    • Pentachlorophenol, dp-2
    • Rcra waste number U242
    • 1-Hydroxypentachlorobenzene
    • Permatox
    • Ontrack WE Herbicide
    • Caswell No. 641
    • NCI-C54933
    • NCI-C55378
    • Weed and Brush Killer
    • EP 30 (pesticide)
    • Dowicide 7 Antimicrobial
    • Pentachloorfenol [Dutch]
    • pentachloro-Phenol
    • Pentachlorphenol [German]
    • Pentaclorofenolo [Italian]
    • Watershed Wood Preservative
    • Dow pentachlorophenol DP-2 antimicrobial
    • Pentachlorophenol, technical
    • EP 30
    • NCI-C56655
    • 1-Hydroxy-2,3,4,5,6-pentachlorobenzene
    • Pentachlorophenol pure
    • Forpen-50 Wood Preservative
    • Pentachlorophenol [BSI:ISO]
    • Phenol, 2,3,4,5,6-pentachloro-
    • CCRIS 1663
    • HSDB 894
    • Osmose Wood Preserving Compound
    • Pentachlorophenol [ISO]
    • AD 73
    • D9BSU0SE4T
    • Pentachlorophenol, purified
    • Chlorophenasic acid
    • EINECS 201-778-6
    • Ortho Triox Liquid Vegetation Killer
    • CM 613
    • MB 333
    • EPA Pesticide Chemical Code 063001
    • NSC 263497
    • CP 1309
    • Penton 70
    • BRN 1285380
    • DTXSID7021106
    • CHEBI:17642
    • Pentachlorophenol, dowicide ec-7
    • AI3-00134
    • Pentachloorfenol (DUTCH)
    • 2,3,4,5,6-Pentachlorophenol (Dowicide EC-7)
    • Pentachlorphenol (GERMAN)
    • NSC-263497
    • Pentaclorofenolo (ITALIAN)
    • PENTACHLOROPHENOL [MI]
    • DTXCID701106
    • PENTACHLOROPHENOL [HSDB]
    • PENTACHLOROPHENOL [IARC]
    • PENTACHLOROPHENOL [MART.]
    • 2, 3,4,5,6-Pentachlorophenol
    • 2,3,4,5,6-Pentachloro-Phenol
    • 2,3,4,5,6-Pentachlorophenol, technical grade
    • PENTACHLOROPHENOL [WHO-DD]
    • NSC40792
    • PENTACHLOROPHENOL (IARC)
    • PENTACHLOROPHENOL (MART.)
    • Pentaclorofenol
    • Osmoplastic
    • Forepen
    • Dura-Treet
    • Pentachlorophenol, analytical standard
    • CAS-87-86-5
    • SMR000471858
    • Pol-NU
    • Pentachlorophenol 1000 microg/mL in Methanol
    • Pentachlorophenol (PCP)
    • UNII-D9BSU0SE4T
    • UN3155
    • RCRA waste no. U242
    • Pentachloral
    • Pentachlorol
    • Perchlorophenol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.65
    methanol 3.79
    isopropanol 5.16
    water 0.05
    ethyl acetate 13.3
    n-propanol 7.02
    acetone 9.94
    n-butanol 7.14
    acetonitrile 5.36
    DMF 30.48
    toluene 17.02
    isobutanol 5.94
    1,4-dioxane 27.44
    methyl acetate 13.16
    THF 90.46
    2-butanone 16.48
    n-pentanol 9.42
    sec-butanol 8.78
    n-hexane 3.66
    ethylene glycol 2.73
    NMP 43.84
    cyclohexane 3.57
    DMSO 15.1
    n-butyl acetate 23.12
    n-octanol 17.29
    chloroform 12.02
    n-propyl acetate 14.69
    acetic acid 4.04
    dichloromethane 10.6
    cyclohexanone 20.49
    propylene glycol 2.89
    isopropyl acetate 16.37
    DMAc 42.95
    2-ethoxyethanol 21.81
    isopentanol 9.29
    n-heptane 9.83
    ethyl formate 6.83
    1,2-dichloroethane 9.25
    n-hexanol 17.33
    2-methoxyethanol 22.86
    isobutyl acetate 11.28
    tetrachloromethane 4.49
    n-pentyl acetate 23.27
    transcutol 70.1
    n-heptanol 14.74
    ethylbenzene 17.51
    MIBK 20.18
    2-propoxyethanol 37.24
    tert-butanol 11.03
    MTBE 22.61
    2-butoxyethanol 26.63
    propionic acid 4.21
    o-xylene 19.0
    formic acid 2.45
    diethyl ether 19.78
    m-xylene 18.23
    p-xylene 15.91
    chlorobenzene 7.36
    dimethyl carbonate 11.28
    n-octane 5.73
    formamide 6.45
    cyclopentanone 31.65
    2-pentanone 16.84
    anisole 28.88
    cyclopentyl methyl ether 45.76
    gamma-butyrolactone 29.31
    1-methoxy-2-propanol 24.4
    pyridine 25.29
    3-pentanone 15.48
    furfural 28.18
    n-dodecane 4.36
    diethylene glycol 21.84
    diisopropyl ether 15.46
    tert-amyl alcohol 15.6
    acetylacetone 20.85
    n-hexadecane 4.94
    acetophenone 23.7
    methyl propionate 15.45
    isopentyl acetate 24.42
    trichloroethylene 18.57
    n-nonanol 18.33
    cyclohexanol 11.78
    benzyl alcohol 16.13
    2-ethylhexanol 19.54
    isooctanol 14.3
    dipropyl ether 30.57
    1,2-dichlorobenzene 8.68
    ethyl lactate 10.03
    propylene carbonate 15.35
    n-methylformamide 10.02
    2-pentanol 9.72
    n-pentane 3.62
    1-propoxy-2-propanol 33.89
    1-methoxy-2-propyl acetate 35.24
    2-(2-methoxypropoxy) propanol 34.49
    mesitylene 14.28
    ε-caprolactone 23.06
    p-cymene 21.49
    epichlorohydrin 38.2
    1,1,1-trichloroethane 10.47
    2-aminoethanol 5.17
    morpholine-4-carbaldehyde 43.37
    sulfolane 33.75
    2,2,4-trimethylpentane 4.35
    2-methyltetrahydrofuran 51.51
    n-hexyl acetate 27.05
    isooctane 3.88
    2-(2-butoxyethoxy)ethanol 40.01
    sec-butyl acetate 15.09
    tert-butyl acetate 28.2
    decalin 4.99
    glycerin 5.95
    diglyme 64.4
    acrylic acid 4.4
    isopropyl myristate 19.22
    n-butyric acid 6.53
    acetyl acetate 8.72
    di(2-ethylhexyl) phthalate 14.51
    ethyl propionate 15.94
    nitromethane 9.43
    1,2-diethoxyethane 40.77
    benzonitrile 13.86
    trioctyl phosphate 12.2
    1-bromopropane 10.66
    gamma-valerolactone 37.02
    n-decanol 15.51
    triethyl phosphate 14.21
    4-methyl-2-pentanol 10.8
    propionitrile 7.53
    vinylene carbonate 11.32
    1,1,2-trichlorotrifluoroethane 27.47
    DMS 17.51
    cumene 13.92
    2-octanol 14.87
    2-hexanone 19.22
    octyl acetate 19.53
    limonene 26.03
    1,2-dimethoxyethane 44.42
    ethyl orthosilicate 15.79
    tributyl phosphate 12.49
    diacetone alcohol 28.3
    N,N-dimethylaniline 31.98
    acrylonitrile 9.07
    aniline 14.45
    1,3-propanediol 6.92
    bromobenzene 8.0
    dibromomethane 8.83
    1,1,2,2-tetrachloroethane 17.01
    2-methyl-cyclohexyl acetate 24.11
    tetrabutyl urea 23.45
    diisobutyl methanol 17.94
    2-phenylethanol 25.97
    styrene 14.4
    dioctyl adipate 21.14
    dimethyl sulfate 16.64
    ethyl butyrate 21.84
    methyl lactate 11.8
    butyl lactate 17.16
    diethyl carbonate 13.34
    propanediol butyl ether 21.74
    triethyl orthoformate 20.77
    p-tert-butyltoluene 23.14
    methyl 4-tert-butylbenzoate 33.43
    morpholine 34.43
    tert-butylamine 9.24
    n-dodecanol 13.15
    dimethoxymethane 37.63
    ethylene carbonate 8.75
    cyrene 31.66
    2-ethoxyethyl acetate 28.64
    2-ethylhexyl acetate 22.04
    1,2,4-trichlorobenzene 12.47
    4-methylpyridine 25.16
    dibutyl ether 25.57
    2,6-dimethyl-4-heptanol 17.94
    DEF 27.81
    dimethyl isosorbide 75.67
    tetrachloroethylene 12.62
    eugenol 32.96
    triacetin 22.46
    span 80 26.64
    1,4-butanediol 4.26
    1,1-dichloroethane 7.43
    2-methyl-1-pentanol 11.3
    methyl formate 8.46
    2-methyl-1-butanol 9.13
    n-decane 7.12
    butyronitrile 8.6
    3,7-dimethyl-1-octanol 19.84
    1-chlorooctane 15.19
    1-chlorotetradecane 8.46
    n-nonane 6.72
    undecane 5.49
    tert-butylcyclohexane 5.69
    cyclooctane 3.77
    cyclopentanol 14.43
    tetrahydropyran 27.36
    tert-amyl methyl ether 30.42
    2,5,8-trioxanonane 53.72
    1-hexene 9.33
    2-isopropoxyethanol 19.76
    2,2,2-trifluoroethanol 3.78
    methyl butyrate 17.04

    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