3-Methyl-2-isopropylphenol

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  • Identifiers

    CAS number
    1321-81-9

    Molecular formula
    C10H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 84.28%
    Spicy 72.4%
    Medicinal 64.72%
    Smoky 64.64%
    Woody 59.65%
    Leathery 55.73%
    Herbal 49.64%
    Burnt 42.75%
    Sweet 35.57%
    Animal 35.44%

     

    Flavor
    Phenolic 66.44%
    Medicinal 56.12%
    Camphor 43.13%
    Woody 40.91%
    Herbal 38.11%
    Spice 37.38%
    Spicy 32.23%
    Smoky 30.44%
    Leather 29.54%
    Smoke 28.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.37 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    235°C

    Flash point

    • 102.93 ˚C est.

  • Synonyms

    • 2-Isopropyl-m-cresol
    • vic-Thymol
    • 1321-81-9
    • Phenol, 3-methyl(1-methylethyl)-
    • 3228-01-1
    • 3-methyl-2-isopropylphenol
    • 9T14VIE176
    • EINECS 215-327-6
    • EINECS 221-760-1
    • O-CYMEN-3-OL
    • Phenol, 3-methyl-2-(1-methylethyl)-
    • DTXSID5061667
    • RefChem:503667
    • DTXCID8034085
    • 221-760-1
    • 2-isopropyl-3-methylphenol
    • 3-methyl-2-propan-2-ylphenol
    • methylisopropylphenol
    • 3-METHYL-2-(PROPAN-2-YL)PHENOL
    • isopropyl-3-methylphenol
    • SCHEMBL184407
    • UNII-9T14VIE176
    • SCHEMBL4192650
    • phenol, 2-isopropyl-3-methyl-
    • SCHEMBL30309279
    • MB22300
    • DB-164454
    • NS00024195
    • 1321-81-9

  • Applications

    3-Methyl-2-isopropylphenol (CAS 1321-81-9) is used as an odorant and fragrance intermediate in perfumery and cosmetics, contributing to aromatic profiles in perfumes and scented personal-care products. It may serve as an intermediate in organic synthesis for specialty aroma compounds. It is sometimes employed in cleaning and household products as a fragrance additive or distinctive scent component. In industrial manufacturing, it can function as a building block for phenolic derivatives used in coatings, paints, and polymer formulations. Depending on formulation and local regulations, its use is subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14784.06
    methanol 17860.84
    isopropanol 9562.99
    water 10.01
    ethyl acetate 7996.59
    n-propanol 11214.02
    acetone 14054.58
    n-butanol 7958.25
    acetonitrile 19382.4
    DMF 8524.95
    toluene 3284.79
    isobutanol 6638.2
    1,4-dioxane 20973.4
    methyl acetate 7664.74
    THF 28049.67
    2-butanone 8375.26
    n-pentanol 4634.0
    sec-butanol 6022.2
    n-hexane 2377.73
    ethylene glycol 1175.13
    NMP 5428.22
    cyclohexane 2608.37
    DMSO 9235.91
    n-butyl acetate 5093.49
    n-octanol 1622.82
    chloroform 9631.57
    n-propyl acetate 4026.02
    acetic acid 4400.44
    dichloromethane 10784.92
    cyclohexanone 9722.62
    propylene glycol 1154.06
    isopropyl acetate 3432.2
    DMAc 2003.77
    2-ethoxyethanol 4791.37
    isopentanol 4521.76
    n-heptane 848.7
    ethyl formate 5110.58
    1,2-dichloroethane 9475.77
    n-hexanol 5886.89
    2-methoxyethanol 8286.73
    isobutyl acetate 2001.76
    tetrachloromethane 2159.49
    n-pentyl acetate 2064.05
    transcutol 4391.12
    n-heptanol 1634.57
    ethylbenzene 1143.13
    MIBK 3035.21
    2-propoxyethanol 6979.17
    tert-butanol 7434.63
    MTBE 7892.02
    2-butoxyethanol 2172.3
    propionic acid 4071.6
    o-xylene 1002.13
    formic acid 1512.47
    diethyl ether 17276.0
    m-xylene 1728.52
    p-xylene 1239.06
    chlorobenzene 3213.69
    dimethyl carbonate 1644.49
    n-octane 346.14
    formamide 2800.53
    cyclopentanone 11608.99
    2-pentanone 7549.86
    anisole 2297.9
    cyclopentyl methyl ether 10346.75
    gamma-butyrolactone 12180.4
    1-methoxy-2-propanol 4841.42
    pyridine 7289.12
    3-pentanone 4542.67
    furfural 4322.85
    n-dodecane 197.52
    diethylene glycol 2802.23
    diisopropyl ether 2732.61
    tert-amyl alcohol 4064.4
    acetylacetone 3987.19
    n-hexadecane 231.89
    acetophenone 1127.57
    methyl propionate 5295.67
    isopentyl acetate 3149.17
    trichloroethylene 9003.13
    n-nonanol 1230.61
    cyclohexanol 5449.49
    benzyl alcohol 1338.4
    2-ethylhexanol 1995.88
    isooctanol 1097.62
    dipropyl ether 3866.54
    1,2-dichlorobenzene 1695.18
    ethyl lactate 683.92
    propylene carbonate 3873.86
    n-methylformamide 7891.48
    2-pentanol 4721.91
    n-pentane 2219.35
    1-propoxy-2-propanol 3284.11
    1-methoxy-2-propyl acetate 2501.82
    2-(2-methoxypropoxy) propanol 696.32
    mesitylene 916.32
    ε-caprolactone 6278.06
    p-cymene 474.73
    epichlorohydrin 13353.06
    1,1,1-trichloroethane 6235.64
    2-aminoethanol 2771.07
    morpholine-4-carbaldehyde 5668.44
    sulfolane 8087.72
    2,2,4-trimethylpentane 397.32
    2-methyltetrahydrofuran 17509.58
    n-hexyl acetate 2838.74
    isooctane 480.76
    2-(2-butoxyethoxy)ethanol 1584.17
    sec-butyl acetate 1730.98
    tert-butyl acetate 3106.44
    decalin 560.35
    glycerin 936.3
    diglyme 3117.41
    acrylic acid 2415.44
    isopropyl myristate 712.78
    n-butyric acid 5215.58
    acetyl acetate 2142.08
    di(2-ethylhexyl) phthalate 352.92
    ethyl propionate 2735.33
    nitromethane 10426.43
    1,2-diethoxyethane 4031.42
    benzonitrile 2543.25
    trioctyl phosphate 427.72
    1-bromopropane 7256.05
    gamma-valerolactone 10796.46
    n-decanol 855.7
    triethyl phosphate 426.16
    4-methyl-2-pentanol 1735.0
    propionitrile 10523.8
    vinylene carbonate 3078.01
    1,1,2-trichlorotrifluoroethane 2564.85
    DMS 1283.37
    cumene 614.96
    2-octanol 1204.11
    2-hexanone 4200.9
    octyl acetate 1043.67
    limonene 940.06
    1,2-dimethoxyethane 7838.73
    ethyl orthosilicate 465.89
    tributyl phosphate 497.81
    diacetone alcohol 2427.21
    N,N-dimethylaniline 880.13
    acrylonitrile 8560.63
    aniline 2837.51
    1,3-propanediol 4338.7
    bromobenzene 3036.21
    dibromomethane 8330.91
    1,1,2,2-tetrachloroethane 5792.67
    2-methyl-cyclohexyl acetate 968.56
    tetrabutyl urea 555.15
    diisobutyl methanol 836.87
    2-phenylethanol 1630.07
    styrene 1569.41
    dioctyl adipate 611.07
    dimethyl sulfate 1525.7
    ethyl butyrate 2099.49
    methyl lactate 1030.7
    butyl lactate 837.92
    diethyl carbonate 895.06
    propanediol butyl ether 1181.6
    triethyl orthoformate 1039.04
    p-tert-butyltoluene 493.53
    methyl 4-tert-butylbenzoate 692.98
    morpholine 21734.03
    tert-butylamine 4852.13
    n-dodecanol 614.13
    dimethoxymethane 8468.85
    ethylene carbonate 3554.02
    cyrene 684.59
    2-ethoxyethyl acetate 2203.37
    2-ethylhexyl acetate 2267.19
    1,2,4-trichlorobenzene 1573.84
    4-methylpyridine 6609.3
    dibutyl ether 2365.32
    2,6-dimethyl-4-heptanol 836.87
    DEF 5056.75
    dimethyl isosorbide 1547.76
    tetrachloroethylene 3976.01
    eugenol 648.44
    triacetin 780.24
    span 80 807.9
    1,4-butanediol 1452.62
    1,1-dichloroethane 9186.65
    2-methyl-1-pentanol 2482.09
    methyl formate 5797.74
    2-methyl-1-butanol 4322.62
    n-decane 375.17
    butyronitrile 10033.37
    3,7-dimethyl-1-octanol 1060.52
    1-chlorooctane 1307.5
    1-chlorotetradecane 417.43
    n-nonane 432.7
    undecane 265.36
    tert-butylcyclohexane 556.57
    cyclooctane 747.47
    cyclopentanol 6460.36
    tetrahydropyran 23468.98
    tert-amyl methyl ether 3701.82
    2,5,8-trioxanonane 1324.78
    1-hexene 5377.78
    2-isopropoxyethanol 2646.37
    2,2,2-trifluoroethanol 1067.3
    methyl butyrate 3596.84

    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