4-Isopropylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    99-89-8

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2210.0

  • Odor profile

    Phenolic 86.13%
    Spicy 76.49%
    Medicinal 68.2%
    Smoky 62.78%
    Woody 62.64%
    Leathery 55.22%
    Herbal 51.22%
    Animal 38.78%
    Burnt 36.26%
    Dry 29.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 62.3 °C

    Boiling point

    • 222.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point est.
    105.25 ˚C

  • Synonyms

    • 4-Isopropylphenol
    • 99-89-8
    • P-ISOPROPYLPHENOL
    • p-Cumenol
    • Australol
    • 4-(1-Methylethyl)phenol
    • Phenol, 4-(1-methylethyl)-
    • 1-Hydroxy-4-isopropylbenzene
    • 4-(Propan-2-Yl)Phenol
    • 4-propan-2-ylphenol
    • para-isopropylphenol
    • 4-Hydroxycumene
    • Phenol, p-isopropyl-
    • Prodox 133
    • 4-iso-Propylphenol
    • 4-Isopropyl phenol
    • 4-Isopropyl-phenol
    • NSC 1888
    • p-hydroxycumene
    • p-ISOPROPYL PHENOL
    • EINECS 202-798-8
    • BRN 1363564
    • DTXSID5042299
    • 9F59JOO816
    • NSC-1888
    • MFCD00002372
    • ISOPROPYLPHENOL, P-
    • Phenol, (1-methylethyl)-
    • DTXCID3022299
    • CHEBI:167172
    • 4-06-00-03215 (Beilstein Handbook Reference)
    • PROPOFOL IMPURITY H [EP IMPURITY]
    • P-Cuminol
    • PROPOFOL IMPURITY H (EP IMPURITY)
    • pCumenol
    • pIsopropylphenol
    • UNII-9F59JOO816
    • 4-(1-Methylethyl)phenol; Propofol Imp. H (EP); Propofol Impurity H
    • paraisopropylphenol
    • Phenol, pisopropyl
    • phenol, 4-isopropyl-
    • 4(1Methylethyl)phenol
    • 1Hydroxy4isopropylbenzene
    • Phenol, 4(1methylethyl)
    • 4-Isopropylphenol, 98%
    • SCHEMBL28954
    • CHEMBL29966
    • SCHEMBL8987962
    • WLN: QR DY1 & 1
    • NSC1888
    • HMS1789L08
    • STR08167
    • Tox21_301323
    • STL183327
    • AKOS000121483
    • CAS-99-89-8
    • NCGC00255837-01
    • NCGC00337683-01
    • PD065569
    • CS-0020286
    • I0262
    • NS00012766
    • EN300-16601
    • D72532
    • AB01329173-02
    • AE-562/43459027
    • Q27272471
    • Z56347200
    • F0001-2340
    • 202-798-8
    • H3Z

  • Applications

    4-Isopropylphenol (CAS 99-89-8) is a versatile alkylphenol used as an intermediate for producing phenolic resins (novolac/resol) for friction materials, foundry binders, and adhesives, as well as Mannich-type epoxy curing agents and tackifiers for rubber/PSAs; it serves as a chain stopper for polycarbonates and epoxy systems to tailor molecular weight, viscosity, and processing; it is a building block for hindered phenols (e.g., 2,6-diisopropylphenol) and for antioxidant/UV-stabilizer additives in polymers, resins, and lubricants; it is an intermediate to p‑isopropylphenyl ethers/esters and to halo/boronate derivatives used in cross-coupling for pharmaceutical, agrochemical, and functional materials synthesis; it can contribute a niche phenolic–smoky note in specialty fragrances or act as a precursor to more pleasant odorants; and it is employed as a model substrate in catalysis studies (phenol oxidation, directed alkylation, hydroprocessing) and as a GC/LC reference standard for alkylphenols.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2795.66
    methanol 1053.05
    isopropanol 1706.18
    water 0.54
    ethyl acetate 2832.09
    n-propanol 2143.69
    acetone 3782.67
    n-butanol 1758.17
    acetonitrile 3127.63
    DMF 2493.44
    toluene 302.09
    isobutanol 1134.58
    1,4-dioxane 3594.37
    methyl acetate 2192.75
    THF 5301.81
    2-butanone 2575.64
    n-pentanol 679.0
    sec-butanol 1098.96
    n-hexane 56.74
    ethylene glycol 177.83
    NMP 1080.45
    cyclohexane 95.58
    DMSO 1995.14
    n-butyl acetate 1505.71
    n-octanol 267.92
    chloroform 1951.09
    n-propyl acetate 869.14
    acetic acid 967.11
    dichloromethane 3114.59
    cyclohexanone 2029.26
    propylene glycol 333.07
    isopropyl acetate 945.53
    DMAc 962.86
    2-ethoxyethanol 850.68
    isopentanol 978.12
    n-heptane 99.49
    ethyl formate 1692.66
    1,2-dichloroethane 1889.64
    n-hexanol 1126.57
    2-methoxyethanol 2076.39
    isobutyl acetate 330.2
    tetrachloromethane 234.12
    n-pentyl acetate 398.27
    transcutol 2214.82
    n-heptanol 292.61
    ethylbenzene 124.24
    MIBK 655.67
    2-propoxyethanol 1606.14
    tert-butanol 1422.43
    MTBE 1300.64
    2-butoxyethanol 503.32
    propionic acid 1020.09
    o-xylene 138.37
    formic acid 205.92
    diethyl ether 2365.65
    m-xylene 186.85
    p-xylene 156.79
    chlorobenzene 495.73
    dimethyl carbonate 429.84
    n-octane 28.0
    formamide 695.61
    cyclopentanone 3199.84
    2-pentanone 2204.3
    anisole 439.04
    cyclopentyl methyl ether 1355.0
    gamma-butyrolactone 3295.48
    1-methoxy-2-propanol 1386.95
    pyridine 1424.44
    3-pentanone 1097.44
    furfural 1284.87
    n-dodecane 22.31
    diethylene glycol 660.69
    diisopropyl ether 327.1
    tert-amyl alcohol 854.45
    acetylacetone 1496.78
    n-hexadecane 25.88
    acetophenone 304.65
    methyl propionate 1622.84
    isopentyl acetate 820.95
    trichloroethylene 2453.37
    n-nonanol 212.87
    cyclohexanol 660.0
    benzyl alcohol 268.17
    2-ethylhexanol 450.8
    isooctanol 195.77
    dipropyl ether 944.08
    1,2-dichlorobenzene 344.85
    ethyl lactate 203.78
    propylene carbonate 1163.42
    n-methylformamide 1678.71
    2-pentanol 790.07
    n-pentane 77.53
    1-propoxy-2-propanol 927.6
    1-methoxy-2-propyl acetate 970.71
    2-(2-methoxypropoxy) propanol 352.11
    mesitylene 102.4
    ε-caprolactone 1409.96
    p-cymene 121.96
    epichlorohydrin 3619.83
    1,1,1-trichloroethane 1214.41
    2-aminoethanol 564.01
    morpholine-4-carbaldehyde 1442.89
    sulfolane 1745.41
    2,2,4-trimethylpentane 36.07
    2-methyltetrahydrofuran 3300.75
    n-hexyl acetate 555.85
    isooctane 33.37
    2-(2-butoxyethoxy)ethanol 603.18
    sec-butyl acetate 379.04
    tert-butyl acetate 736.1
    decalin 37.37
    glycerin 277.43
    diglyme 1189.39
    acrylic acid 542.08
    isopropyl myristate 174.89
    n-butyric acid 1647.12
    acetyl acetate 829.78
    di(2-ethylhexyl) phthalate 145.82
    ethyl propionate 716.77
    nitromethane 2850.83
    1,2-diethoxyethane 1275.14
    benzonitrile 458.15
    trioctyl phosphate 121.43
    1-bromopropane 1069.45
    gamma-valerolactone 2857.45
    n-decanol 160.61
    triethyl phosphate 170.27
    4-methyl-2-pentanol 303.18
    propionitrile 1800.94
    vinylene carbonate 870.17
    1,1,2-trichlorotrifluoroethane 720.52
    DMS 384.73
    cumene 85.9
    2-octanol 173.06
    2-hexanone 789.33
    octyl acetate 238.89
    limonene 232.1
    1,2-dimethoxyethane 1566.54
    ethyl orthosilicate 169.89
    tributyl phosphate 161.12
    diacetone alcohol 689.63
    N,N-dimethylaniline 189.44
    acrylonitrile 1635.29
    aniline 448.1
    1,3-propanediol 1083.46
    bromobenzene 456.52
    dibromomethane 1614.12
    1,1,2,2-tetrachloroethane 1312.03
    2-methyl-cyclohexyl acetate 325.66
    tetrabutyl urea 181.1
    diisobutyl methanol 201.97
    2-phenylethanol 369.14
    styrene 169.07
    dioctyl adipate 250.94
    dimethyl sulfate 443.56
    ethyl butyrate 792.47
    methyl lactate 331.37
    butyl lactate 236.72
    diethyl carbonate 401.44
    propanediol butyl ether 368.49
    triethyl orthoformate 349.19
    p-tert-butyltoluene 124.51
    methyl 4-tert-butylbenzoate 262.43
    morpholine 3932.81
    tert-butylamine 828.26
    n-dodecanol 123.89
    dimethoxymethane 1983.37
    ethylene carbonate 849.79
    cyrene 274.75
    2-ethoxyethyl acetate 617.2
    2-ethylhexyl acetate 578.03
    1,2,4-trichlorobenzene 364.87
    4-methylpyridine 1214.08
    dibutyl ether 443.83
    2,6-dimethyl-4-heptanol 201.97
    DEF 1388.86
    dimethyl isosorbide 697.03
    tetrachloroethylene 749.8
    eugenol 235.16
    triacetin 337.78
    span 80 329.67
    1,4-butanediol 228.23
    1,1-dichloroethane 1894.82
    2-methyl-1-pentanol 426.9
    methyl formate 1185.07
    2-methyl-1-butanol 829.44
    n-decane 38.51
    butyronitrile 1962.13
    3,7-dimethyl-1-octanol 229.1
    1-chlorooctane 173.1
    1-chlorotetradecane 66.35
    n-nonane 38.91
    undecane 28.69
    tert-butylcyclohexane 40.22
    cyclooctane 29.9
    cyclopentanol 1028.18
    tetrahydropyran 3357.16
    tert-amyl methyl ether 598.66
    2,5,8-trioxanonane 672.78
    1-hexene 306.52
    2-isopropoxyethanol 474.99
    2,2,2-trifluoroethanol 223.87
    methyl butyrate 946.05

    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

Botanical

Name CAS Botanical Proportion
Cumin (Turkey) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.1%
Cumin (Turkey) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.1%
Cumin (Turkey) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.13%
Cumin (Turkey) 4 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.1%
Cumin (Turkey) 5 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.08%
Cumin (Turkey) 6 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.33%
Cumin (Egypt) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.46%
Cumin (India) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.08%
Artemisia anethifolia (China) Artemisia anethifolia Web. ex Stechm., fam. Asteraceae (Compositae) 0.59%
Cumin (China) 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.63%
Santolina ligustica (Italy) Santolina ligustica Arrigonia, fam. Asteraceae (Compositae) 0.5%
Armoise (Israel) 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.2%