2-Isopropylphenol

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  • Identifiers

    CAS number
    88-69-7

    Molecular formula
    C9H12O

    SMILES
    CC(C)C1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 88.79%
    Spicy 73.23%
    Medicinal 71.68%
    Smoky 69.17%
    Woody 59.19%
    Leathery 52.01%
    Herbal 47.92%
    Burnt 44.18%
    Sweet 35.52%
    Camphoreous 35.12%

     

    Flavor
    Phenolic 72.78%
    Medicinal 68.46%
    Woody 44.86%
    Spicy 42.2%
    Spice 41.92%
    Herbal 40.33%
    Camphor 37.28%
    Smoky 32.55%
    Phenol 32.38%
    Smoke 29.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.11 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 62.6 °F (USCG, 1999)
    • 15 - 16 °C

    Boiling point

    • 417.2 °F at 760 mmHg (USCG, 1999)
    • 212.00 to 214.00 °C. @ 760.00 mm Hg

    Flash point

    • 92.44 ˚C est.
    • 220 °F (USCG, 1999)

    Solubility expt.

    • slightly soluble in water
    • miscible (in ethanol)

  • Synonyms

    • 2-Isopropylphenol
    • 88-69-7
    • O-ISOPROPYLPHENOL
    • o-Hydroxycumene
    • ISOPROPYLPHENOL
    • 2-(1-Methylethyl)phenol
    • o-Cumenol
    • Phenol, o-isopropyl-
    • 1-Hydroxy-2-isopropylbenzene
    • 2-propan-2-ylphenol
    • Phenol, 2-(1-methylethyl)-
    • 2-(propan-2-yl)phenol
    • Prodox 131
    • ISOPROPYLPHENOL, ORTHO
    • 1-Hydroxy-3-isopropylbenzene
    • Cumenol, o-
    • Isopropylphenol, o-
    • ortho-isopropylphenol
    • 2-Hydroxycumene
    • FEMA No. 3461
    • 2-Isopropyl phenol
    • 2-Isopropyl-Phenol
    • NSC 5103
    • 25168-06-3
    • isopropyl-phenol
    • o-isopropyl-phenol
    • EINECS 201-852-8
    • UNII-B2899Z0Q2U
    • BRN 1363322
    • DTXSID2044391
    • CHEBI:38506
    • AI3-18550
    • B2899Z0Q2U
    • NSC-5103
    • MFCD00002224
    • 2-(1-Methylethyl)-Phenol
    • ISOPROPYLPHENOL, 2-
    • CHEMBL30018
    • DTXCID0024391
    • 2-(1-Methylethyl)phenol, 9CI
    • FEMA 3461
    • 2-ISOPROPYLPHENOL [FHFI]
    • 4-06-00-03210 (Beilstein Handbook Reference)
    • PROPOFOL IMPURITY C [EP IMPURITY]
    • METACRESOL IMPURITY H [EP IMPURITY]
    • cumenol
    • PROPOFOL IMPURITY C (EP IMPURITY)
    • METACRESOL IMPURITY H (EP IMPURITY)
    • oHydroxycumene
    • oCumenol
    • oIsopropylphenol
    • isopropyl phenol
    • oIsopropyl phenol
    • 2-(1-Methylethyl)phenol; Propofol Imp. C (EP); Propofol Impurity C
    • 2isopropyl phenol
    • Cumenol, o
    • Isopropylphenol, o
    • Phenol, oisopropyl
    • 0-isopropyl phenol
    • 2-iso-propylphenol
    • Phenol, isopropyl-
    • ortho-isopropyl phenol
    • phenol, 2-isopropyl-
    • 2(1Methylethyl)phenol
    • 1Hydroxy2isopropylbenzene
    • Phenol, 2(1methylethyl)
    • 2-Isopropylphenol, 98%
    • UNII-7UD6MUG48S
    • 7UD6MUG48S
    • SCHEMBL43297
    • SCHEMBL8988162
    • NSC5103
    • 3f36
    • 2-Isopropylphenol, >=98%, FG
    • EINECS 246-699-8
    • Tox21_302062
    • BDBM50409533
    • STL453618
    • AKOS000120752
    • FI35506
    • CAS-88-69-7
    • NCGC00255940-01
    • BP-10159
    • PD055451
    • I0173
    • NS00021381
    • EN300-20953
    • G77227
    • Q27117882
    • F0001-2189
    • Z104485440
    • 201-852-8
    • IP0

  • Applications

    2-Isopropylphenol (o-isopropylphenol, CAS 88-69-7) is an aromatic phenol with a woody-medicinal odor that serves as an intermediate for heat-resistant phenolic resins, antioxidants in rubber and plastics, polymerization inhibitors in styrene and acrylate manufacture, fuel-stabilizing additives, precursors to dyes and agrochemicals, fragrance and flavor ingredients, a specialty solvent for pharmaceutical extraction, an antimicrobial component in cosmetics and cleansers, and a model compound for studying lignin depolymerization and biomass gasification; its isopropyl-substituted ring endows the molecule with free-radical-scavenging activity and versatile reactivity, making it valuable in laboratory research as well as in large-scale industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6728.08
    methanol 6574.79
    isopropanol 4913.69
    water 2.89
    ethyl acetate 3817.1
    n-propanol 4879.63
    acetone 7753.71
    n-butanol 3381.95
    acetonitrile 9307.76
    DMF 4210.63
    toluene 1064.37
    isobutanol 3315.52
    1,4-dioxane 9425.63
    methyl acetate 4060.07
    THF 11580.91
    2-butanone 4554.14
    n-pentanol 2113.26
    sec-butanol 3034.31
    n-hexane 1050.17
    ethylene glycol 435.96
    NMP 2918.81
    cyclohexane 865.39
    DMSO 5541.85
    n-butyl acetate 2748.64
    n-octanol 904.78
    chloroform 4961.38
    n-propyl acetate 2398.93
    acetic acid 2141.45
    dichloromethane 5315.27
    cyclohexanone 4706.23
    propylene glycol 560.19
    isopropyl acetate 1674.44
    DMAc 1050.16
    2-ethoxyethanol 2030.87
    isopentanol 2109.48
    n-heptane 369.18
    ethyl formate 2560.72
    1,2-dichloroethane 4179.02
    n-hexanol 2537.21
    2-methoxyethanol 3320.74
    isobutyl acetate 1266.52
    tetrachloromethane 970.43
    n-pentyl acetate 1041.81
    transcutol 2905.59
    n-heptanol 841.66
    ethylbenzene 536.09
    MIBK 1489.08
    2-propoxyethanol 2788.68
    tert-butanol 3963.64
    MTBE 4027.74
    2-butoxyethanol 1092.54
    propionic acid 2296.23
    o-xylene 437.38
    formic acid 524.11
    diethyl ether 6534.29
    m-xylene 631.85
    p-xylene 609.66
    chlorobenzene 1381.42
    dimethyl carbonate 744.08
    n-octane 177.66
    formamide 1179.34
    cyclopentanone 5777.23
    2-pentanone 3559.7
    anisole 1130.02
    cyclopentyl methyl ether 3942.36
    gamma-butyrolactone 6243.19
    1-methoxy-2-propanol 2239.75
    pyridine 3190.52
    3-pentanone 2132.91
    furfural 2203.67
    n-dodecane 114.38
    diethylene glycol 1219.47
    diisopropyl ether 1166.72
    tert-amyl alcohol 2147.84
    acetylacetone 2027.46
    n-hexadecane 132.58
    acetophenone 663.24
    methyl propionate 2383.91
    isopentyl acetate 1737.65
    trichloroethylene 4716.47
    n-nonanol 697.44
    cyclohexanol 2108.5
    benzyl alcohol 639.05
    2-ethylhexanol 993.5
    isooctanol 671.03
    dipropyl ether 1933.67
    1,2-dichlorobenzene 848.3
    ethyl lactate 469.6
    propylene carbonate 2195.06
    n-methylformamide 3459.09
    2-pentanol 2120.25
    n-pentane 787.66
    1-propoxy-2-propanol 1661.23
    1-methoxy-2-propyl acetate 1257.28
    2-(2-methoxypropoxy) propanol 548.81
    mesitylene 373.15
    ε-caprolactone 3112.17
    p-cymene 248.43
    epichlorohydrin 6269.41
    1,1,1-trichloroethane 3288.47
    2-aminoethanol 1158.16
    morpholine-4-carbaldehyde 2706.28
    sulfolane 4590.81
    2,2,4-trimethylpentane 187.7
    2-methyltetrahydrofuran 7511.16
    n-hexyl acetate 1486.05
    isooctane 217.79
    2-(2-butoxyethoxy)ethanol 1048.76
    sec-butyl acetate 1054.53
    tert-butyl acetate 1586.18
    decalin 253.27
    glycerin 480.87
    diglyme 1949.86
    acrylic acid 1373.43
    isopropyl myristate 467.36
    n-butyric acid 2710.67
    acetyl acetate 1086.14
    di(2-ethylhexyl) phthalate 252.58
    ethyl propionate 1443.49
    nitromethane 5576.03
    1,2-diethoxyethane 2134.11
    benzonitrile 1236.14
    trioctyl phosphate 280.9
    1-bromopropane 3356.87
    gamma-valerolactone 5046.74
    n-decanol 515.72
    triethyl phosphate 282.86
    4-methyl-2-pentanol 831.97
    propionitrile 4898.58
    vinylene carbonate 1647.57
    1,1,2-trichlorotrifluoroethane 1345.8
    DMS 731.96
    cumene 313.86
    2-octanol 637.8
    2-hexanone 2412.89
    octyl acetate 644.41
    limonene 464.57
    1,2-dimethoxyethane 3908.13
    ethyl orthosilicate 294.58
    tributyl phosphate 321.8
    diacetone alcohol 1308.17
    N,N-dimethylaniline 486.16
    acrylonitrile 4228.0
    aniline 1191.34
    1,3-propanediol 1853.57
    bromobenzene 1333.82
    dibromomethane 4036.06
    1,1,2,2-tetrachloroethane 3290.95
    2-methyl-cyclohexyl acetate 612.64
    tetrabutyl urea 373.2
    diisobutyl methanol 483.93
    2-phenylethanol 788.05
    styrene 702.9
    dioctyl adipate 452.58
    dimethyl sulfate 864.72
    ethyl butyrate 1238.64
    methyl lactate 585.04
    butyl lactate 513.55
    diethyl carbonate 593.02
    propanediol butyl ether 739.39
    triethyl orthoformate 609.66
    p-tert-butyltoluene 264.32
    methyl 4-tert-butylbenzoate 504.68
    morpholine 8854.95
    tert-butylamine 2495.74
    n-dodecanol 391.9
    dimethoxymethane 3330.79
    ethylene carbonate 1759.78
    cyrene 494.39
    2-ethoxyethyl acetate 1142.26
    2-ethylhexyl acetate 1230.16
    1,2,4-trichlorobenzene 873.36
    4-methylpyridine 2849.13
    dibutyl ether 1333.02
    2,6-dimethyl-4-heptanol 483.93
    DEF 2278.88
    dimethyl isosorbide 987.24
    tetrachloroethylene 2070.9
    eugenol 477.73
    triacetin 574.12
    span 80 588.53
    1,4-butanediol 674.3
    1,1-dichloroethane 5064.83
    2-methyl-1-pentanol 1272.08
    methyl formate 2637.91
    2-methyl-1-butanol 1993.97
    n-decane 205.88
    butyronitrile 4538.53
    3,7-dimethyl-1-octanol 652.67
    1-chlorooctane 716.77
    1-chlorotetradecane 251.14
    n-nonane 232.52
    undecane 150.98
    tert-butylcyclohexane 269.86
    cyclooctane 243.53
    cyclopentanol 2874.21
    tetrahydropyran 9345.37
    tert-amyl methyl ether 1685.04
    2,5,8-trioxanonane 954.97
    1-hexene 2568.79
    2-isopropoxyethanol 1365.49
    2,2,2-trifluoroethanol 524.15
    methyl butyrate 2083.7

    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