3-Methyl-4-isopropylphenol

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  • Identifiers

    CAS number
    3228-02-2

    Molecular formula
    C10H14O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 81.57%
    Spicy 71.86%
    Medicinal 60.52%
    Woody 60.08%
    Smoky 58.43%
    Leathery 56.9%
    Herbal 44.6%
    Animal 40.11%
    Burnt 37.52%
    Dry 36.22%

     

    Flavor
    Phenolic 56.34%
    Medicinal 53.36%
    Woody 52.46%
    Camphor 41.87%
    Spice 40.32%
    Herbal 35.73%
    Spicy 32.85%
    Leather 29.88%
    Smoky 25.98%
    Guaiacol 25.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.6 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 115.2 ˚C est.

  • Synonyms

    • 4-Isopropyl-3-methylphenol
    • 3228-02-2
    • 3-Methyl-4-isopropylphenol
    • o-CYMEN-5-OL
    • 3-methyl-4-propan-2-ylphenol
    • 3-Methyl-4-(1-methylethyl)phenol
    • H41B6Q1I9L
    • NSC-62111
    • DTXSID10186026
    • RefChem:55740
    • NORO-X Foaming HandSoap
    • DTXCID20108517
    • Biosol
    • 4-Isopropyl-m-cresol
    • p-Thymol
    • Phenol, 3-methyl-4-(1-methylethyl)-
    • MFCD00010704
    • isopropylmethylphenol
    • o-Cymen-5y-ol
    • 3-methyl-4-(propan-2-yl)phenol
    • 4-Isopropyl-5-methylphenol
    • 4-isopropyl-3-methyl-phenol
    • 1-Hydroxy-3-methyl-4-isopropylbenzene
    • Frecide
    • Biosal (antibacterial)
    • EINECS 221-761-7
    • NSC 62111
    • DEKACYMEN
    • BRN 1364028
    • UNII-H41B6Q1I9L
    • 2-CYMEN-5-OL
    • 4-iso-Propyl-3-methylphenol
    • CYMEN-5-OL, O-
    • BIDD:ER0450
    • SCHEMBL133674
    • SCHEMBL501283
    • orb2695033
    • orb3026024
    • SCHEMBL1807028
    • phenol, 4-isopropyl-3-methyl-
    • SCHEMBL29366027
    • CHEBI:34429
    • IJALWSVNUBBQRA-UHFFFAOYSA-
    • O-CYMEN-5Y-OL [WHO-DD]
    • 4-I-PROPYL-3-METHYLPHENOL
    • 4-Isopropyl-3-methylphenol, 99%
    • NSC62111
    • EBC-48068
    • AKOS000119826
    • AC-9076
    • DS-6343
    • MSK005121-100M
    • BP-12478
    • SY051849
    • 3-METHYL-4-(PROPAN-2-YL)BENZOLOL
    • DB-048192
    • CS-0072744
    • M0409
    • NS00008446
    • EN300-20058
    • F17347
    • 4-06-00-03325 (Beilstein Handbook Reference)
    • F240568
    • 3228-O2-2
    • Q27116059
    • F0001-0962
    • Z104476618
    • 4-Isopropyl-3-methylphenol Solution in Methanol, 100ug/mL
    • InChI=1/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
    • 3228-02-2

  • Applications

    3-Methyl-4-isopropylphenol (CAS 3228-02-2) is primarily used as an aroma compound in perfumery and flavor applications; it is commonly evaluated as a fragrance ingredient and may function as a fixative in cosmetics/personal care and household products. It can be employed as an intermediate in fragrance synthesis and as a precursor for polymer/plastics additive formulations. It may also be used in coatings/inks to impart or stabilize scent, and as a specialty chemical intermediate in industrial manufacturing, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7000.19
    methanol 6408.63
    isopropanol 3229.11
    water 1.05
    ethyl acetate 4822.99
    n-propanol 4550.66
    acetone 9577.68
    n-butanol 3318.92
    acetonitrile 8299.05
    DMF 6671.59
    toluene 857.39
    isobutanol 2077.02
    1,4-dioxane 10193.14
    methyl acetate 4134.01
    THF 17160.64
    2-butanone 4579.74
    n-pentanol 1288.32
    sec-butanol 1770.91
    n-hexane 237.93
    ethylene glycol 355.33
    NMP 2747.71
    cyclohexane 431.03
    DMSO 4601.68
    n-butyl acetate 2865.78
    n-octanol 533.72
    chloroform 3699.21
    n-propyl acetate 1508.19
    acetic acid 1937.93
    dichloromethane 6147.98
    cyclohexanone 4924.66
    propylene glycol 465.56
    isopropyl acetate 1541.6
    DMAc 1431.16
    2-ethoxyethanol 1589.83
    isopentanol 1620.08
    n-heptane 304.78
    ethyl formate 3507.26
    1,2-dichloroethane 4304.89
    n-hexanol 2422.97
    2-methoxyethanol 4631.25
    isobutyl acetate 613.28
    tetrachloromethane 604.59
    n-pentyl acetate 844.9
    transcutol 3135.87
    n-heptanol 567.08
    ethylbenzene 266.18
    MIBK 1201.29
    2-propoxyethanol 3388.4
    tert-butanol 2412.98
    MTBE 2524.28
    2-butoxyethanol 918.48
    propionic acid 1659.32
    o-xylene 279.16
    formic acid 583.69
    diethyl ether 6501.21
    m-xylene 445.8
    p-xylene 322.95
    chlorobenzene 1185.79
    dimethyl carbonate 882.96
    n-octane 79.18
    formamide 1781.04
    cyclopentanone 7615.32
    2-pentanone 4299.19
    anisole 846.28
    cyclopentyl methyl ether 4169.65
    gamma-butyrolactone 7509.72
    1-methoxy-2-propanol 2604.47
    pyridine 3214.24
    3-pentanone 2130.44
    furfural 2408.9
    n-dodecane 53.2
    diethylene glycol 1329.58
    diisopropyl ether 691.77
    tert-amyl alcohol 1282.61
    acetylacetone 2728.36
    n-hexadecane 63.14
    acetophenone 510.76
    methyl propionate 3065.49
    isopentyl acetate 1547.55
    trichloroethylene 4478.71
    n-nonanol 428.28
    cyclohexanol 1665.73
    benzyl alcohol 488.3
    2-ethylhexanol 838.99
    isooctanol 354.68
    dipropyl ether 2147.69
    1,2-dichlorobenzene 726.25
    ethyl lactate 306.27
    propylene carbonate 2248.61
    n-methylformamide 5609.91
    2-pentanol 1445.79
    n-pentane 313.49
    1-propoxy-2-propanol 1751.42
    1-methoxy-2-propyl acetate 1663.26
    2-(2-methoxypropoxy) propanol 477.99
    mesitylene 246.94
    ε-caprolactone 3106.43
    p-cymene 235.42
    epichlorohydrin 8359.2
    1,1,1-trichloroethane 2375.07
    2-aminoethanol 1047.64
    morpholine-4-carbaldehyde 3145.66
    sulfolane 3739.66
    2,2,4-trimethylpentane 81.69
    2-methyltetrahydrofuran 8421.63
    n-hexyl acetate 1161.8
    isooctane 87.52
    2-(2-butoxyethoxy)ethanol 940.55
    sec-butyl acetate 609.01
    tert-butyl acetate 1285.19
    decalin 106.64
    glycerin 396.41
    diglyme 2045.51
    acrylic acid 944.48
    isopropyl myristate 326.95
    n-butyric acid 2770.25
    acetyl acetate 1396.94
    di(2-ethylhexyl) phthalate 234.74
    ethyl propionate 1210.23
    nitromethane 6383.64
    1,2-diethoxyethane 2390.31
    benzonitrile 952.59
    trioctyl phosphate 220.77
    1-bromopropane 2529.81
    gamma-valerolactone 6860.4
    n-decanol 308.35
    triethyl phosphate 278.25
    4-methyl-2-pentanol 515.23
    propionitrile 4173.1
    vinylene carbonate 1702.53
    1,1,2-trichlorotrifluoroethane 1176.27
    DMS 674.6
    cumene 161.38
    2-octanol 344.05
    2-hexanone 1419.19
    octyl acetate 470.63
    limonene 486.95
    1,2-dimethoxyethane 3627.4
    ethyl orthosilicate 277.05
    tributyl phosphate 275.88
    diacetone alcohol 1127.5
    N,N-dimethylaniline 315.28
    acrylonitrile 3524.6
    aniline 1004.56
    1,3-propanediol 1921.95
    bromobenzene 1128.17
    dibromomethane 3480.71
    1,1,2,2-tetrachloroethane 2321.17
    2-methyl-cyclohexyl acetate 557.52
    tetrabutyl urea 315.94
    diisobutyl methanol 356.79
    2-phenylethanol 688.52
    styrene 368.29
    dioctyl adipate 389.07
    dimethyl sulfate 748.37
    ethyl butyrate 1256.08
    methyl lactate 539.14
    butyl lactate 407.77
    diethyl carbonate 599.43
    propanediol butyl ether 597.95
    triethyl orthoformate 602.02
    p-tert-butyltoluene 241.13
    methyl 4-tert-butylbenzoate 400.75
    morpholine 11127.18
    tert-butylamine 1616.54
    n-dodecanol 220.44
    dimethoxymethane 6303.64
    ethylene carbonate 1785.64
    cyrene 425.17
    2-ethoxyethyl acetate 1150.12
    2-ethylhexyl acetate 1071.85
    1,2,4-trichlorobenzene 666.13
    4-methylpyridine 2810.62
    dibutyl ether 947.79
    2,6-dimethyl-4-heptanol 356.79
    DEF 3022.77
    dimethyl isosorbide 1189.11
    tetrachloroethylene 1480.75
    eugenol 366.56
    triacetin 491.39
    span 80 486.62
    1,4-butanediol 405.38
    1,1-dichloroethane 3746.42
    2-methyl-1-pentanol 726.74
    methyl formate 4312.09
    2-methyl-1-butanol 1378.04
    n-decane 101.79
    butyronitrile 4602.8
    3,7-dimethyl-1-octanol 411.72
    1-chlorooctane 408.48
    1-chlorotetradecane 144.54
    n-nonane 108.07
    undecane 71.38
    tert-butylcyclohexane 104.77
    cyclooctane 118.29
    cyclopentanol 2559.06
    tetrahydropyran 10064.42
    tert-amyl methyl ether 1121.62
    2,5,8-trioxanonane 1016.63
    1-hexene 871.62
    2-isopropoxyethanol 827.77
    2,2,2-trifluoroethanol 413.51
    methyl butyrate 1610.42

    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