2-Chloro-4-methylphenol

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  • Identifiers

    CAS number
    6640-27-3

    Molecular formula
    C7H7ClO

    SMILES
    CC1=CC(=C(C=C1)O)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 79.1%
    Smoky 58.16%
    Medicinal 51.75%
    Spicy 47.23%
    Burnt 43.92%
    Leathery 37.6%
    Woody 35.22%
    Sweet 33.72%
    Animal 32.33%
    Meaty 28.95%

     

    Flavor
    Phenolic 59.5%
    Medicinal 40.93%
    Bitter 36.4%
    Mild 32.86%
    Sweet 29.99%
    Meaty 29.58%
    Smoke 28.36%
    Phenol 28.04%
    Medical 26.52%
    Smoky 25.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.11 (weak base)

    Molecular weight
    142.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point

    • 95.02 ˚C est.

  • Synonyms

    • 2-Chloro-4-methylphenol
    • 2-Chloro-p-cresol
    • Phenol, 2-chloro-4-methyl-
    • p-Cresol, 2-chloro-
    • UNII-1J012K1LJC
    • 1J012K1LJC
    • EINECS 229-656-8
    • NSC 48848
    • NSC-48848
    • DTXSID5022512
    • 3-CHLORO-4-HYDROXYTOLUENE
    • RefChem:86249
    • p-Cresol, 2-chloro-(8CI)
    • DTXCID302512
    • AQJFATAFTQCRGC-UHFFFAOYSA-N
    • InChI=1/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H
    • 6640-27-3
    • MFCD00070639
    • 2-cholor-4-methyl-phenol
    • 2-Chloro-4-methyl-phenol
    • 2-chloranyl-4-methyl-phenol
    • BIDD:ER0189
    • SCHEMBL169725
    • SCHEMBL1387163
    • SCHEMBL2094999
    • SCHEMBL10863560
    • SCHEMBL28099126
    • 2-Chloro-4-methylphenol, 97%
    • CHEBI:79732
    • NSC48848
    • MSK2933-100M
    • AKOS005288297
    • CS-W004089
    • DS-0905
    • SY017070
    • TS-01854
    • DB-020833
    • C2005
    • NS00036028
    • EN300-64815
    • A835453
    • F018404
    • Q27148865
    • 2-chloro-4-methylphenol Solution in Methanol, 100ug/mL
    • Z384970658
    • 6640-27-3

  • Applications

    2-Chloro-4-methylphenol (CAS 6640-27-3) is primarily used as an antimicrobial agent in cosmetic and pharmaceutical formulations, acting as a preservative or antiseptic in regulated products. It is also employed as a chemical intermediate for the synthesis of dyes, polymers, and other specialty chemicals. In cleaning products, it may function as a biocidal additive and preservative. In coatings and inks, it can be used as an antimicrobial additive or processing aid. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 678.78
    methanol 512.86
    isopropanol 593.76
    water 3.04
    ethyl acetate 704.69
    n-propanol 569.43
    acetone 1021.58
    n-butanol 486.11
    acetonitrile 491.27
    DMF 1131.64
    toluene 204.66
    isobutanol 423.53
    1,4-dioxane 964.29
    methyl acetate 652.74
    THF 2045.21
    2-butanone 903.85
    n-pentanol 387.45
    sec-butanol 575.3
    n-hexane 49.92
    ethylene glycol 177.59
    NMP 476.34
    cyclohexane 30.66
    DMSO 811.12
    n-butyl acetate 412.53
    n-octanol 301.61
    chloroform 551.49
    n-propyl acetate 377.92
    acetic acid 291.68
    dichloromethane 462.39
    cyclohexanone 537.89
    propylene glycol 213.28
    isopropyl acetate 355.37
    DMAc 638.47
    2-ethoxyethanol 585.09
    isopentanol 396.99
    n-heptane 52.44
    ethyl formate 375.44
    1,2-dichloroethane 437.15
    n-hexanol 558.07
    2-methoxyethanol 858.39
    isobutyl acetate 241.99
    tetrachloromethane 125.37
    n-pentyl acetate 245.47
    transcutol 921.08
    n-heptanol 283.23
    ethylbenzene 147.31
    MIBK 364.84
    2-propoxyethanol 817.14
    tert-butanol 711.95
    MTBE 661.63
    2-butoxyethanol 453.36
    propionic acid 325.72
    o-xylene 134.93
    formic acid 120.78
    diethyl ether 576.28
    m-xylene 179.15
    p-xylene 167.3
    chlorobenzene 208.63
    dimethyl carbonate 253.41
    n-octane 31.7
    formamide 243.04
    cyclopentanone 911.12
    2-pentanone 698.59
    anisole 366.93
    cyclopentyl methyl ether 548.49
    gamma-butyrolactone 830.85
    1-methoxy-2-propanol 740.03
    pyridine 399.14
    3-pentanone 422.04
    furfural 523.52
    n-dodecane 28.88
    diethylene glycol 559.11
    diisopropyl ether 175.37
    tert-amyl alcohol 608.42
    acetylacetone 598.53
    n-hexadecane 31.9
    acetophenone 251.92
    methyl propionate 537.87
    isopentyl acetate 332.45
    trichloroethylene 715.27
    n-nonanol 244.36
    cyclohexanol 320.05
    benzyl alcohol 252.65
    2-ethylhexanol 276.56
    isooctanol 224.9
    dipropyl ether 283.96
    1,2-dichlorobenzene 177.12
    ethyl lactate 186.85
    propylene carbonate 354.51
    n-methylformamide 526.09
    2-pentanol 403.85
    n-pentane 43.69
    1-propoxy-2-propanol 542.02
    1-methoxy-2-propyl acetate 398.78
    2-(2-methoxypropoxy) propanol 307.63
    mesitylene 116.86
    ε-caprolactone 437.6
    p-cymene 104.11
    epichlorohydrin 1063.85
    1,1,1-trichloroethane 458.08
    2-aminoethanol 335.23
    morpholine-4-carbaldehyde 644.13
    sulfolane 694.52
    2,2,4-trimethylpentane 39.85
    2-methyltetrahydrofuran 986.88
    n-hexyl acetate 350.54
    isooctane 40.25
    2-(2-butoxyethoxy)ethanol 469.03
    sec-butyl acetate 240.23
    tert-butyl acetate 408.5
    decalin 35.29
    glycerin 266.37
    diglyme 759.64
    acrylic acid 229.54
    isopropyl myristate 146.66
    n-butyric acid 414.12
    acetyl acetate 257.83
    di(2-ethylhexyl) phthalate 111.14
    ethyl propionate 300.06
    nitromethane 669.63
    1,2-diethoxyethane 400.18
    benzonitrile 239.79
    trioctyl phosphate 107.95
    1-bromopropane 309.86
    gamma-valerolactone 822.66
    n-decanol 183.36
    triethyl phosphate 118.63
    4-methyl-2-pentanol 240.83
    propionitrile 396.78
    vinylene carbonate 290.63
    1,1,2-trichlorotrifluoroethane 471.01
    DMS 223.22
    cumene 112.75
    2-octanol 238.64
    2-hexanone 445.71
    octyl acetate 185.84
    limonene 136.96
    1,2-dimethoxyethane 774.8
    ethyl orthosilicate 119.92
    tributyl phosphate 111.25
    diacetone alcohol 517.25
    N,N-dimethylaniline 224.21
    acrylonitrile 425.41
    aniline 233.98
    1,3-propanediol 466.17
    bromobenzene 198.81
    dibromomethane 343.0
    1,1,2,2-tetrachloroethane 511.01
    2-methyl-cyclohexyl acetate 183.4
    tetrabutyl urea 145.75
    diisobutyl methanol 170.96
    2-phenylethanol 342.68
    styrene 160.18
    dioctyl adipate 157.33
    dimethyl sulfate 351.44
    ethyl butyrate 262.0
    methyl lactate 254.78
    butyl lactate 190.25
    diethyl carbonate 159.59
    propanediol butyl ether 396.31
    triethyl orthoformate 159.06
    p-tert-butyltoluene 114.66
    methyl 4-tert-butylbenzoate 246.3
    morpholine 960.47
    tert-butylamine 388.94
    n-dodecanol 141.37
    dimethoxymethane 787.53
    ethylene carbonate 248.83
    cyrene 267.65
    2-ethoxyethyl acetate 305.82
    2-ethylhexyl acetate 244.35
    1,2,4-trichlorobenzene 199.98
    4-methylpyridine 423.06
    dibutyl ether 233.59
    2,6-dimethyl-4-heptanol 170.96
    DEF 483.01
    dimethyl isosorbide 451.74
    tetrachloroethylene 319.85
    eugenol 288.63
    triacetin 211.92
    span 80 263.16
    1,4-butanediol 242.19
    1,1-dichloroethane 510.03
    2-methyl-1-pentanol 311.13
    methyl formate 428.91
    2-methyl-1-butanol 379.69
    n-decane 46.34
    butyronitrile 412.34
    3,7-dimethyl-1-octanol 249.69
    1-chlorooctane 164.96
    1-chlorotetradecane 69.23
    n-nonane 46.16
    undecane 35.67
    tert-butylcyclohexane 51.05
    cyclooctane 19.0
    cyclopentanol 430.53
    tetrahydropyran 777.01
    tert-amyl methyl ether 446.15
    2,5,8-trioxanonane 494.23
    1-hexene 209.66
    2-isopropoxyethanol 448.96
    2,2,2-trifluoroethanol 141.5
    methyl butyrate 384.86

    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