2-Chloro-6-isopropyl-m-cresol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7408-66-4

    Molecular formula
    C10H13ClO

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

  • Odor profile

    Fragrance
    Phenolic 79.79%
    Spicy 62.29%
    Smoky 61.57%
    Medicinal 53.43%
    Woody 47.75%
    Burnt 46.72%
    Leathery 42.75%
    Sweet 31.86%
    Dry 30.29%
    Animal 26.74%

     

    Flavor
    Phenolic 42.34%
    Medicinal 35.95%
    Bitter 30.65%
    Mild 27.64%
    Camphor 26.13%
    Creosote 23.98%
    Thymol 23.51%
    Spicy 22.66%
    Spice 22.6%
    Meaty 22.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.74 (weak base)

    Molecular weight
    184.66 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 120.15 ˚C est.

  • Synonyms

    • 2-Chloro-6-isopropyl-m-cresol
    • 7408-66-4
    • EINECS 231-016-8
    • SCHEMBL159123
    • DTXSID40224985
    • ZBELFWZTAZVRLL-UHFFFAOYSA-N
    • AKOS006289081
    • NS00037592

  • Applications

    2-Chloro-6-isopropyl-m-cresol (CAS 7408-66-4) is a chlorinated phenol derivative considered for industrial applications due to antimicrobial properties; it may be used as an antimicrobial biocide in industrial and household cleaning formulations. It may also serve as an intermediate in organic synthesis for the production of other phenolic compounds and chemical products. In coatings, paints, and inks, it can be used as an additive to provide antimicrobial effects and product protection. In the fragrance and cosmetics sector, it may be viewed as a fragrance ingredient or fixative under limited conditions, subject to regulatory and formulation constraints. Additionally, it may be evaluated for wood treatment and preservation applications as a biocide component in wood treatment formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1208.68
    methanol 820.73
    isopropanol 1132.88
    water 0.43
    ethyl acetate 991.18
    n-propanol 1067.82
    acetone 1982.02
    n-butanol 962.72
    acetonitrile 1624.36
    DMF 2409.94
    toluene 684.03
    isobutanol 722.53
    1,4-dioxane 2531.69
    methyl acetate 1120.57
    THF 3585.39
    2-butanone 1515.42
    n-pentanol 675.64
    sec-butanol 814.88
    n-hexane 111.63
    ethylene glycol 73.7
    NMP 923.81
    cyclohexane 217.12
    DMSO 995.01
    n-butyl acetate 949.05
    n-octanol 344.27
    chloroform 2665.68
    n-propyl acetate 638.71
    acetic acid 552.03
    dichloromethane 2508.1
    cyclohexanone 1582.79
    propylene glycol 134.11
    isopropyl acetate 446.22
    DMAc 749.92
    2-ethoxyethanol 597.31
    isopentanol 635.34
    n-heptane 131.22
    ethyl formate 845.19
    1,2-dichloroethane 1443.92
    n-hexanol 855.73
    2-methoxyethanol 910.71
    isobutyl acetate 360.17
    tetrachloromethane 474.5
    n-pentyl acetate 464.44
    transcutol 884.46
    n-heptanol 384.67
    ethylbenzene 318.47
    MIBK 464.95
    2-propoxyethanol 843.74
    tert-butanol 972.34
    MTBE 873.07
    2-butoxyethanol 486.75
    propionic acid 489.26
    o-xylene 300.63
    formic acid 119.46
    diethyl ether 1237.97
    m-xylene 395.11
    p-xylene 419.61
    chlorobenzene 754.96
    dimethyl carbonate 252.4
    n-octane 61.75
    formamide 353.05
    cyclopentanone 1858.51
    2-pentanone 1067.46
    anisole 536.38
    cyclopentyl methyl ether 980.91
    gamma-butyrolactone 1683.16
    1-methoxy-2-propanol 730.51
    pyridine 1876.16
    3-pentanone 647.34
    furfural 1110.77
    n-dodecane 38.35
    diethylene glycol 377.76
    diisopropyl ether 244.15
    tert-amyl alcohol 640.96
    acetylacetone 707.84
    n-hexadecane 45.26
    acetophenone 415.23
    methyl propionate 682.47
    isopentyl acetate 636.86
    trichloroethylene 2547.17
    n-nonanol 286.64
    cyclohexanol 809.37
    benzyl alcohol 463.95
    2-ethylhexanol 425.21
    isooctanol 287.94
    dipropyl ether 571.04
    1,2-dichlorobenzene 508.92
    ethyl lactate 204.0
    propylene carbonate 783.89
    n-methylformamide 1070.44
    2-pentanol 606.07
    n-pentane 128.05
    1-propoxy-2-propanol 622.18
    1-methoxy-2-propyl acetate 499.04
    2-(2-methoxypropoxy) propanol 278.93
    mesitylene 220.24
    ε-caprolactone 1034.72
    p-cymene 210.51
    epichlorohydrin 2005.99
    1,1,1-trichloroethane 1354.44
    2-aminoethanol 221.03
    morpholine-4-carbaldehyde 1061.51
    sulfolane 1067.08
    2,2,4-trimethylpentane 50.32
    2-methyltetrahydrofuran 1940.35
    n-hexyl acetate 536.55
    isooctane 53.13
    2-(2-butoxyethoxy)ethanol 454.84
    sec-butyl acetate 321.62
    tert-butyl acetate 429.51
    decalin 76.79
    glycerin 135.53
    diglyme 866.45
    acrylic acid 333.78
    isopropyl myristate 196.26
    n-butyric acid 793.11
    acetyl acetate 378.06
    di(2-ethylhexyl) phthalate 155.22
    ethyl propionate 420.82
    nitromethane 1273.14
    1,2-diethoxyethane 671.68
    benzonitrile 716.1
    trioctyl phosphate 139.08
    1-bromopropane 982.04
    gamma-valerolactone 1770.64
    n-decanol 204.58
    triethyl phosphate 159.59
    4-methyl-2-pentanol 273.13
    propionitrile 1083.41
    vinylene carbonate 730.02
    1,1,2-trichlorotrifluoroethane 656.06
    DMS 266.58
    cumene 180.63
    2-octanol 296.13
    2-hexanone 683.29
    octyl acetate 258.66
    limonene 301.32
    1,2-dimethoxyethane 1327.51
    ethyl orthosilicate 165.32
    tributyl phosphate 152.6
    diacetone alcohol 464.16
    N,N-dimethylaniline 295.1
    acrylonitrile 1192.86
    aniline 648.39
    1,3-propanediol 482.91
    bromobenzene 804.95
    dibromomethane 1710.19
    1,1,2,2-tetrachloroethane 1564.56
    2-methyl-cyclohexyl acetate 313.17
    tetrabutyl urea 203.03
    diisobutyl methanol 228.19
    2-phenylethanol 517.76
    styrene 418.08
    dioctyl adipate 227.1
    dimethyl sulfate 277.98
    ethyl butyrate 480.43
    methyl lactate 204.38
    butyl lactate 273.16
    diethyl carbonate 279.59
    propanediol butyl ether 372.08
    triethyl orthoformate 262.42
    p-tert-butyltoluene 204.39
    methyl 4-tert-butylbenzoate 313.32
    morpholine 2743.76
    tert-butylamine 590.71
    n-dodecanol 148.92
    dimethoxymethane 1172.56
    ethylene carbonate 621.48
    cyrene 301.54
    2-ethoxyethyl acetate 472.56
    2-ethylhexyl acetate 496.73
    1,2,4-trichlorobenzene 517.85
    4-methylpyridine 1640.44
    dibutyl ether 400.35
    2,6-dimethyl-4-heptanol 228.19
    DEF 811.71
    dimethyl isosorbide 511.75
    tetrachloroethylene 1035.24
    eugenol 314.98
    triacetin 290.03
    span 80 284.95
    1,4-butanediol 207.7
    1,1-dichloroethane 1668.51
    2-methyl-1-pentanol 477.52
    methyl formate 799.44
    2-methyl-1-butanol 589.56
    n-decane 73.5
    butyronitrile 1265.6
    3,7-dimethyl-1-octanol 274.17
    1-chlorooctane 272.73
    1-chlorotetradecane 93.95
    n-nonane 76.34
    undecane 52.13
    tert-butylcyclohexane 75.67
    cyclooctane 63.88
    cyclopentanol 897.02
    tetrahydropyran 2535.22
    tert-amyl methyl ether 478.11
    2,5,8-trioxanonane 510.36
    1-hexene 453.09
    2-isopropoxyethanol 423.22
    2,2,2-trifluoroethanol 177.12
    methyl butyrate 613.5

    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