2-Methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    81784-09-0

    Molecular formula
    C15H22O

    SMILES
    CC1=C(C=CC(=C1)[C@]2(CCCC2(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.14%
    Spicy 48.41%
    Woody 46.31%
    Sweet 42.86%
    Leathery 39.83%
    Musk 38.74%
    Dry 37.3%
    Medicinal 35.03%
    Smoky 31.61%
    Animal 31.55%

     

    Flavor
    Woody 51.62%
    Camphor 47.73%
    Phenolic 45.71%
    Medicinal 38.87%
    Spice 29.89%
    Dry 27.0%
    Spicy 26.32%
    Musty 26.2%
    Smoky 23.94%
    Leather 23.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.94 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 131.56 ˚C est.

  • Synonyms

    • 81784-09-0
    • 2-Methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenol
    • CHEMBL5290492
    • SCHEMBL30105508
    • 81784-09-0

  • Applications

    CAS number: 81784-09-0; 2-Methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenol is used as a fragrance ingredient and fixative in perfumery and cosmetics, where the bulky cyclopentyl-aryl substituent helps retain aroma. Its bulky hydrophobic framework also supports its use as a hindered phenolic antioxidant/stabilizer in polymers, coatings, and lubricants, helping inhibit oxidation and degradation. It can serve as an intermediate in fragrance chemistry and specialty chemical synthesis, and it may be incorporated into adhesives and coating formulations where antioxidant and scent attributes are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2474.58
    methanol 1922.81
    isopropanol 1896.49
    water 2.17
    ethyl acetate 4046.85
    n-propanol 2676.82
    acetone 3399.93
    n-butanol 1930.66
    acetonitrile 3129.91
    DMF 4498.42
    toluene 1191.46
    isobutanol 1359.0
    1,4-dioxane 3634.03
    methyl acetate 3362.54
    THF 5217.03
    2-butanone 3701.6
    n-pentanol 671.48
    sec-butanol 1438.33
    n-hexane 110.38
    ethylene glycol 255.16
    NMP 1225.36
    cyclohexane 186.64
    DMSO 1548.8
    n-butyl acetate 1651.89
    n-octanol 280.61
    chloroform 3711.41
    n-propyl acetate 1471.07
    acetic acid 642.25
    dichloromethane 3721.09
    cyclohexanone 2130.7
    propylene glycol 502.39
    isopropyl acetate 2048.89
    DMAc 2181.55
    2-ethoxyethanol 1228.5
    isopentanol 1206.99
    n-heptane 67.12
    ethyl formate 1762.66
    1,2-dichloroethane 2521.43
    n-hexanol 959.82
    2-methoxyethanol 2792.26
    isobutyl acetate 804.42
    tetrachloromethane 700.76
    n-pentyl acetate 653.19
    transcutol 3262.44
    n-heptanol 358.5
    ethylbenzene 567.37
    MIBK 1206.44
    2-propoxyethanol 2000.22
    tert-butanol 2068.87
    MTBE 3314.5
    2-butoxyethanol 813.22
    propionic acid 1254.13
    o-xylene 572.17
    formic acid 319.68
    diethyl ether 3645.91
    m-xylene 730.11
    p-xylene 735.07
    chlorobenzene 1311.15
    dimethyl carbonate 1125.68
    n-octane 27.08
    formamide 1385.93
    cyclopentanone 3178.05
    2-pentanone 2894.63
    anisole 1498.38
    cyclopentyl methyl ether 1765.69
    gamma-butyrolactone 3230.58
    1-methoxy-2-propanol 2279.42
    pyridine 2585.87
    3-pentanone 2223.62
    furfural 1869.59
    n-dodecane 15.87
    diethylene glycol 969.65
    diisopropyl ether 785.86
    tert-amyl alcohol 1446.74
    acetylacetone 2214.3
    n-hexadecane 19.42
    acetophenone 936.82
    methyl propionate 2958.22
    isopentyl acetate 1290.51
    trichloroethylene 3980.99
    n-nonanol 251.15
    cyclohexanol 796.86
    benzyl alcohol 729.0
    2-ethylhexanol 459.52
    isooctanol 313.22
    dipropyl ether 940.69
    1,2-dichlorobenzene 981.77
    ethyl lactate 473.34
    propylene carbonate 1532.06
    n-methylformamide 3238.06
    2-pentanol 1093.16
    n-pentane 153.84
    1-propoxy-2-propanol 1254.56
    1-methoxy-2-propyl acetate 1636.53
    2-(2-methoxypropoxy) propanol 635.7
    mesitylene 438.14
    ε-caprolactone 1773.3
    p-cymene 279.06
    epichlorohydrin 3761.83
    1,1,1-trichloroethane 2377.98
    2-aminoethanol 888.29
    morpholine-4-carbaldehyde 1989.81
    sulfolane 1797.29
    2,2,4-trimethylpentane 86.89
    2-methyltetrahydrofuran 2970.03
    n-hexyl acetate 797.29
    isooctane 85.93
    2-(2-butoxyethoxy)ethanol 932.08
    sec-butyl acetate 993.13
    tert-butyl acetate 1814.62
    decalin 98.27
    glycerin 499.75
    diglyme 1870.83
    acrylic acid 775.53
    isopropyl myristate 273.97
    n-butyric acid 1755.17
    acetyl acetate 1398.18
    di(2-ethylhexyl) phthalate 232.39
    ethyl propionate 1504.09
    nitromethane 2912.19
    1,2-diethoxyethane 1576.73
    benzonitrile 1055.01
    trioctyl phosphate 164.56
    1-bromopropane 1454.2
    gamma-valerolactone 3121.82
    n-decanol 175.9
    triethyl phosphate 324.12
    4-methyl-2-pentanol 591.23
    propionitrile 2998.19
    vinylene carbonate 1453.38
    1,1,2-trichlorotrifluoroethane 1330.97
    DMS 859.66
    cumene 355.87
    2-octanol 228.93
    2-hexanone 1211.65
    octyl acetate 334.71
    limonene 336.03
    1,2-dimethoxyethane 2447.7
    ethyl orthosilicate 326.99
    tributyl phosphate 239.52
    diacetone alcohol 1297.77
    N,N-dimethylaniline 748.35
    acrylonitrile 3047.84
    aniline 1318.74
    1,3-propanediol 1297.75
    bromobenzene 1358.42
    dibromomethane 2144.29
    1,1,2,2-tetrachloroethane 2632.37
    2-methyl-cyclohexyl acetate 610.09
    tetrabutyl urea 250.94
    diisobutyl methanol 295.34
    2-phenylethanol 901.39
    styrene 696.27
    dioctyl adipate 354.81
    dimethyl sulfate 1104.61
    ethyl butyrate 1048.78
    methyl lactate 795.24
    butyl lactate 457.94
    diethyl carbonate 662.47
    propanediol butyl ether 589.91
    triethyl orthoformate 588.92
    p-tert-butyltoluene 313.19
    methyl 4-tert-butylbenzoate 623.22
    morpholine 4344.37
    tert-butylamine 1343.22
    n-dodecanol 124.33
    dimethoxymethane 3242.5
    ethylene carbonate 1340.74
    cyrene 544.35
    2-ethoxyethyl acetate 1096.28
    2-ethylhexyl acetate 923.88
    1,2,4-trichlorobenzene 1062.27
    4-methylpyridine 2448.94
    dibutyl ether 456.52
    2,6-dimethyl-4-heptanol 295.34
    DEF 2199.07
    dimethyl isosorbide 1202.35
    tetrachloroethylene 1494.15
    eugenol 575.11
    triacetin 691.09
    span 80 452.63
    1,4-butanediol 310.62
    1,1-dichloroethane 2840.43
    2-methyl-1-pentanol 563.6
    methyl formate 1862.41
    2-methyl-1-butanol 1080.96
    n-decane 32.96
    butyronitrile 2511.33
    3,7-dimethyl-1-octanol 323.32
    1-chlorooctane 187.63
    1-chlorotetradecane 59.96
    n-nonane 31.73
    undecane 21.91
    tert-butylcyclohexane 109.81
    cyclooctane 70.56
    cyclopentanol 945.52
    tetrahydropyran 3535.59
    tert-amyl methyl ether 1511.92
    2,5,8-trioxanonane 1033.75
    1-hexene 480.0
    2-isopropoxyethanol 842.34
    2,2,2-trifluoroethanol 366.29
    methyl butyrate 1630.85

    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