2-Isobutylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    31195-95-6

    Molecular formula
    C10H14O

    SMILES
    CC(C)CC1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 82.08%
    Spicy 71.22%
    Medicinal 60.55%
    Smoky 60.35%
    Leathery 50.87%
    Woody 47.22%
    Herbal 43.97%
    Burnt 38.43%
    Animal 36.25%
    Musty 26.76%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.98 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point est.
    101.96 ˚C

  • Synonyms

    • 2-Isobutylphenol
    • 2-(2-Methylpropyl)phenol
    • 4167-75-3
    • Isobutylphenol
    • o-Isobutylphenol
    • Phenol, 2-(2-methylpropyl)-
    • Phenol, (2-methylpropyl)-
    • 31195-95-6
    • Phenol, o-isobutyl-
    • WG4PCJ3E5M
    • 2-Isobutyl-phenol
    • EINECS 250-509-9
    • MLS001075656
    • DTXSID3067601
    • SMR000639202
    • UNII-WG4PCJ3E5M
    • cid_93144
    • SCHEMBL108067
    • CHEMBL322535
    • DTXCID3038309
    • BDBM69883
    • EAA16775
    • AKOS016010377
    • NCGC00247440-01
    • CS-0232313
    • NS00022036
    • EN300-1268575
    • 250-509-9
    • 887-186-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 924.91
    methanol 511.01
    isopropanol 1052.54
    water 0.31
    ethyl acetate 503.03
    n-propanol 841.83
    acetone 976.93
    n-butanol 778.23
    acetonitrile 732.32
    DMF 1045.66
    toluene 224.83
    isobutanol 669.38
    1,4-dioxane 808.81
    methyl acetate 509.92
    THF 1488.37
    2-butanone 820.72
    n-pentanol 484.57
    sec-butanol 758.59
    n-hexane 167.59
    ethylene glycol 122.48
    NMP 468.8
    cyclohexane 138.2
    DMSO 886.86
    n-butyl acetate 814.68
    n-octanol 338.64
    chloroform 1187.77
    n-propyl acetate 350.43
    acetic acid 315.42
    dichloromethane 1151.4
    cyclohexanone 795.86
    propylene glycol 278.23
    isopropyl acetate 291.88
    DMAc 476.49
    2-ethoxyethanol 371.33
    isopentanol 603.61
    n-heptane 177.77
    ethyl formate 422.36
    1,2-dichloroethane 727.06
    n-hexanol 1100.94
    2-methoxyethanol 626.77
    isobutyl acetate 245.53
    tetrachloromethane 159.82
    n-pentyl acetate 270.28
    transcutol 709.44
    n-heptanol 362.11
    ethylbenzene 179.9
    MIBK 369.03
    2-propoxyethanol 852.92
    tert-butanol 978.65
    MTBE 688.88
    2-butoxyethanol 395.44
    propionic acid 378.87
    o-xylene 155.05
    formic acid 49.36
    diethyl ether 616.3
    m-xylene 197.52
    p-xylene 196.72
    chlorobenzene 296.41
    dimethyl carbonate 139.77
    n-octane 66.38
    formamide 105.42
    cyclopentanone 1026.07
    2-pentanone 692.88
    anisole 306.54
    cyclopentyl methyl ether 545.54
    gamma-butyrolactone 834.84
    1-methoxy-2-propanol 639.47
    pyridine 553.14
    3-pentanone 396.75
    furfural 524.11
    n-dodecane 52.03
    diethylene glycol 391.71
    diisopropyl ether 192.13
    tert-amyl alcohol 634.69
    acetylacetone 432.18
    n-hexadecane 56.6
    acetophenone 244.97
    methyl propionate 390.6
    isopentyl acetate 600.95
    trichloroethylene 1134.8
    n-nonanol 278.47
    cyclohexanol 485.65
    benzyl alcohol 233.44
    2-ethylhexanol 519.61
    isooctanol 275.26
    dipropyl ether 606.18
    1,2-dichlorobenzene 254.18
    ethyl lactate 166.17
    propylene carbonate 462.03
    n-methylformamide 438.4
    2-pentanol 556.53
    n-pentane 141.46
    1-propoxy-2-propanol 714.8
    1-methoxy-2-propyl acetate 423.4
    2-(2-methoxypropoxy) propanol 283.88
    mesitylene 134.35
    ε-caprolactone 530.55
    p-cymene 171.79
    epichlorohydrin 951.92
    1,1,1-trichloroethane 620.3
    2-aminoethanol 302.5
    morpholine-4-carbaldehyde 511.01
    sulfolane 784.89
    2,2,4-trimethylpentane 61.13
    2-methyltetrahydrofuran 921.73
    n-hexyl acetate 404.5
    isooctane 67.93
    2-(2-butoxyethoxy)ethanol 399.06
    sec-butyl acetate 220.04
    tert-butyl acetate 317.38
    decalin 78.72
    glycerin 227.24
    diglyme 624.8
    acrylic acid 241.28
    isopropyl myristate 171.94
    n-butyric acid 582.77
    acetyl acetate 191.32
    di(2-ethylhexyl) phthalate 140.95
    ethyl propionate 275.48
    nitromethane 523.74
    1,2-diethoxyethane 433.85
    benzonitrile 355.32
    trioctyl phosphate 135.31
    1-bromopropane 671.65
    gamma-valerolactone 862.31
    n-decanol 224.73
    triethyl phosphate 132.19
    4-methyl-2-pentanol 294.69
    propionitrile 711.17
    vinylene carbonate 356.3
    1,1,2-trichlorotrifluoroethane 400.57
    DMS 194.35
    cumene 146.08
    2-octanol 244.71
    2-hexanone 481.28
    octyl acetate 229.14
    limonene 259.49
    1,2-dimethoxyethane 695.7
    ethyl orthosilicate 130.59
    tributyl phosphate 127.89
    diacetone alcohol 393.76
    N,N-dimethylaniline 209.24
    acrylonitrile 650.8
    aniline 246.42
    1,3-propanediol 427.23
    bromobenzene 317.34
    dibromomethane 897.88
    1,1,2,2-tetrachloroethane 856.76
    2-methyl-cyclohexyl acetate 268.82
    tetrabutyl urea 184.26
    diisobutyl methanol 249.59
    2-phenylethanol 345.16
    styrene 202.24
    dioctyl adipate 201.89
    dimethyl sulfate 180.25
    ethyl butyrate 423.42
    methyl lactate 193.32
    butyl lactate 221.19
    diethyl carbonate 225.19
    propanediol butyl ether 357.71
    triethyl orthoformate 216.2
    p-tert-butyltoluene 172.89
    methyl 4-tert-butylbenzoate 253.32
    morpholine 932.94
    tert-butylamine 657.19
    n-dodecanol 182.87
    dimethoxymethane 541.96
    ethylene carbonate 320.98
    cyrene 225.78
    2-ethoxyethyl acetate 268.65
    2-ethylhexyl acetate 433.2
    1,2,4-trichlorobenzene 260.65
    4-methylpyridine 524.37
    dibutyl ether 335.14
    2,6-dimethyl-4-heptanol 249.59
    DEF 463.32
    dimethyl isosorbide 419.87
    tetrachloroethylene 464.15
    eugenol 248.72
    triacetin 223.56
    span 80 291.25
    1,4-butanediol 189.22
    1,1-dichloroethane 933.4
    2-methyl-1-pentanol 381.97
    methyl formate 325.93
    2-methyl-1-butanol 526.97
    n-decane 79.07
    butyronitrile 864.09
    3,7-dimethyl-1-octanol 309.33
    1-chlorooctane 244.44
    1-chlorotetradecane 104.28
    n-nonane 86.57
    undecane 62.36
    tert-butylcyclohexane 91.71
    cyclooctane 62.31
    cyclopentanol 558.28
    tetrahydropyran 991.66
    tert-amyl methyl ether 380.31
    2,5,8-trioxanonane 417.32
    1-hexene 453.59
    2-isopropoxyethanol 309.23
    2,2,2-trifluoroethanol 80.14
    methyl butyrate 414.39

    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
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.3%