3-Isopropylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    618-45-1

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Phenolic 80.81%
    Spicy 63.95%
    Medicinal 58.59%
    Leathery 55.53%
    Woody 55.29%
    Smoky 53.56%
    Animal 45.6%
    Herbal 40.81%
    Burnt 35.64%
    Dry 30.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    223°C

    Flash point est.
    98.25 ˚C

  • Synonyms

    • 3-Isopropylphenol
    • 618-45-1
    • M-ISOPROPYLPHENOL
    • m-Cumenol
    • 3-propan-2-ylphenol
    • Phenol, m-isopropyl-
    • Phenol, 3-(1-methylethyl)-
    • 3-(1-Methylethyl)phenol
    • 3-(propan-2-yl)phenol
    • ISOPROPYLPHENOL, META
    • 3-isopropyl-phenol
    • MFCD00002301
    • ERD00478GH
    • DTXSID0044571
    • NSC-2209
    • 3-Isopropylhydroxybenzene
    • NSC 2209
    • 3-isopropyl phenol
    • EINECS 210-551-0
    • BRN 2040880
    • UNII-ERD00478GH
    • AI3-18885
    • 3-(1-Methylethyl)phenol; Propofol Imp. F (EP); Propofol Impurity F
    • m-Isopropyl phenol
    • m-Isopropyl-phenol
    • meta-isopropylphenol
    • EINECS 291-826-2
    • phenol, 3-isopropyl-
    • Carvacrol derivative, 10
    • 3-Isopropylphenol, 97%
    • EC 291-826-2
    • ISOPROPYLPHENOL, M-
    • SCHEMBL51528
    • 4-06-00-03214 (Beilstein Handbook Reference)
    • CHEMBL449684
    • DTXCID8024571
    • NSC2209
    • BDBM248167
    • Tox21_301558
    • AKOS000121413
    • NCGC00255721-01
    • AS-10581
    • CAS-618-45-1
    • PROPOFOL IMPURITY F [EP IMPURITY]
    • NS00002341
    • EN300-21143
    • D87686
    • Q27277323
    • Z104492878

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1722.99
    methanol 1150.36
    isopropanol 1545.59
    water 0.69
    ethyl acetate 1308.29
    n-propanol 1559.95
    acetone 2292.08
    n-butanol 1212.38
    acetonitrile 1624.61
    DMF 1709.92
    toluene 259.69
    isobutanol 1012.65
    1,4-dioxane 2085.16
    methyl acetate 1347.19
    THF 3553.42
    2-butanone 1780.56
    n-pentanol 720.38
    sec-butanol 1119.67
    n-hexane 214.09
    ethylene glycol 198.59
    NMP 748.89
    cyclohexane 112.14
    DMSO 1595.99
    n-butyl acetate 802.42
    n-octanol 375.28
    chloroform 1321.86
    n-propyl acetate 554.99
    acetic acid 430.41
    dichloromethane 1143.79
    cyclohexanone 1144.14
    propylene glycol 364.5
    isopropyl acetate 577.64
    DMAc 723.54
    2-ethoxyethanol 662.74
    isopentanol 732.78
    n-heptane 104.48
    ethyl formate 639.2
    1,2-dichloroethane 976.69
    n-hexanol 1217.97
    2-methoxyethanol 1153.32
    isobutyl acetate 337.0
    tetrachloromethane 193.43
    n-pentyl acetate 316.23
    transcutol 1091.5
    n-heptanol 396.39
    ethylbenzene 188.03
    MIBK 563.05
    2-propoxyethanol 1315.04
    tert-butanol 1350.55
    MTBE 1349.52
    2-butoxyethanol 522.1
    propionic acid 684.18
    o-xylene 150.98
    formic acid 95.43
    diethyl ether 1523.27
    m-xylene 205.98
    p-xylene 204.24
    chlorobenzene 336.39
    dimethyl carbonate 292.94
    n-octane 53.79
    formamide 200.49
    cyclopentanone 1926.62
    2-pentanone 1295.57
    anisole 423.51
    cyclopentyl methyl ether 1057.83
    gamma-butyrolactone 1596.21
    1-methoxy-2-propanol 1134.19
    pyridine 783.38
    3-pentanone 756.38
    furfural 672.91
    n-dodecane 41.01
    diethylene glycol 612.63
    diisopropyl ether 290.93
    tert-amyl alcohol 900.75
    acetylacetone 815.25
    n-hexadecane 46.13
    acetophenone 269.75
    methyl propionate 930.72
    isopentyl acetate 561.33
    trichloroethylene 1246.46
    n-nonanol 307.15
    cyclohexanol 577.09
    benzyl alcohol 261.42
    2-ethylhexanol 414.71
    isooctanol 281.18
    dipropyl ether 602.86
    1,2-dichlorobenzene 252.21
    ethyl lactate 205.63
    propylene carbonate 616.13
    n-methylformamide 862.4
    2-pentanol 759.55
    n-pentane 134.0
    1-propoxy-2-propanol 832.05
    1-methoxy-2-propyl acetate 532.77
    2-(2-methoxypropoxy) propanol 297.94
    mesitylene 126.26
    ε-caprolactone 809.91
    p-cymene 108.92
    epichlorohydrin 1758.53
    1,1,1-trichloroethane 804.48
    2-aminoethanol 487.01
    morpholine-4-carbaldehyde 837.58
    sulfolane 1305.86
    2,2,4-trimethylpentane 54.23
    2-methyltetrahydrofuran 1882.12
    n-hexyl acetate 481.65
    isooctane 61.71
    2-(2-butoxyethoxy)ethanol 517.83
    sec-butyl acetate 317.21
    tert-butyl acetate 532.73
    decalin 64.59
    glycerin 309.68
    diglyme 855.7
    acrylic acid 376.66
    isopropyl myristate 175.58
    n-butyric acid 933.23
    acetyl acetate 369.28
    di(2-ethylhexyl) phthalate 122.01
    ethyl propionate 462.72
    nitromethane 1097.21
    1,2-diethoxyethane 576.92
    benzonitrile 341.76
    trioctyl phosphate 124.4
    1-bromopropane 815.1
    gamma-valerolactone 1496.42
    n-decanol 234.62
    triethyl phosphate 119.15
    4-methyl-2-pentanol 360.73
    propionitrile 1218.08
    vinylene carbonate 425.95
    1,1,2-trichlorotrifluoroethane 516.42
    DMS 290.34
    cumene 128.75
    2-octanol 268.82
    2-hexanone 698.86
    octyl acetate 241.18
    limonene 181.77
    1,2-dimethoxyethane 1183.56
    ethyl orthosilicate 121.87
    tributyl phosphate 126.72
    diacetone alcohol 594.51
    N,N-dimethylaniline 227.65
    acrylonitrile 1071.81
    aniline 336.69
    1,3-propanediol 700.41
    bromobenzene 337.58
    dibromomethane 893.01
    1,1,2,2-tetrachloroethane 925.75
    2-methyl-cyclohexyl acetate 234.62
    tetrabutyl urea 161.44
    diisobutyl methanol 210.44
    2-phenylethanol 374.33
    styrene 221.7
    dioctyl adipate 183.72
    dimethyl sulfate 360.94
    ethyl butyrate 399.9
    methyl lactate 305.38
    butyl lactate 217.38
    diethyl carbonate 208.15
    propanediol butyl ether 401.27
    triethyl orthoformate 203.05
    p-tert-butyltoluene 118.44
    methyl 4-tert-butylbenzoate 243.84
    morpholine 2124.0
    tert-butylamine 774.79
    n-dodecanol 177.94
    dimethoxymethane 1148.62
    ethylene carbonate 423.86
    cyrene 249.61
    2-ethoxyethyl acetate 365.9
    2-ethylhexyl acetate 379.26
    1,2,4-trichlorobenzene 269.92
    4-methylpyridine 716.88
    dibutyl ether 390.44
    2,6-dimethyl-4-heptanol 210.44
    DEF 722.37
    dimethyl isosorbide 448.17
    tetrachloroethylene 482.8
    eugenol 262.45
    triacetin 252.87
    span 80 297.27
    1,4-butanediol 266.92
    1,1-dichloroethane 1285.89
    2-methyl-1-pentanol 449.53
    methyl formate 635.9
    2-methyl-1-butanol 681.65
    n-decane 68.78
    butyronitrile 1199.51
    3,7-dimethyl-1-octanol 292.7
    1-chlorooctane 249.95
    1-chlorotetradecane 93.58
    n-nonane 73.56
    undecane 52.19
    tert-butylcyclohexane 82.31
    cyclooctane 46.41
    cyclopentanol 877.83
    tetrahydropyran 2026.33
    tert-amyl methyl ether 629.11
    2,5,8-trioxanonane 485.29
    1-hexene 687.28
    2-isopropoxyethanol 504.4
    2,2,2-trifluoroethanol 125.84
    methyl butyrate 599.45

    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
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%