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

    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%

    Scent© AI

    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 Well soluble in IAA, DEP, MMB

    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 expt.

    • 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
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