Phenol, 3-(1,1-dimethylethyl)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    585-34-2

    Molecular formula
    C10H14O

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Phenolic 75.25%
    Leathery 60.25%
    Spicy 54.41%
    Woody 49.37%
    Medicinal 47.52%
    Smoky 45.56%
    Animal 43.97%
    Dry 38.28%
    Burnt 31.89%
    Camphoreous 26.41%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point est.
    102.49 ˚C

  • Synonyms

    • 3-tert-Butylphenol
    • 585-34-2
    • m-tert-Butylphenol
    • 3-(tert-butyl)phenol
    • Phenol, 3-(1,1-dimethylethyl)-
    • 3-t-Butylphenol
    • 3-tert-butyl-phenol
    • Phenol, m-tert-butyl-
    • MFCD00002300
    • DTXSID9044825
    • Phenol, 3-tert-butyl-
    • EINECS 209-553-4
    • 2382U55WN2
    • DTXCID7024825
    • CHEBI:34348
    • 3-(1,1-DIMETHYLETHYL)PHENOL
    • 5-TERT-BUTYL-1-HYDROXYBENZENE
    • mtertButylphenol
    • UNII-2382U55WN2
    • 3-tertbutylphenol
    • 3-tert.butylphenol
    • m-tert.-butylphenol
    • 3-tert.-butylphenol
    • 3-tert-Butyl phenol
    • ST50824235
    • M-TERT-BUTYL-PHENOL
    • 3-tert-butyl-hydroxybenzene
    • 3-tert-Butylphenol, 99%
    • SCHEMBL50933
    • BIDD:ER0561
    • Phenol, 3(1,1dimethylethyl)
    • CHEMBL224899
    • 3-(1,1-dimethylethyl)-phenol
    • CYEKUDPFXBLGHH-UHFFFAOYSA-
    • Tox21_301686
    • AKOS000120521
    • NCGC00256058-01
    • AC-26474
    • AS-14546
    • CAS-585-34-2
    • B0731
    • CS-0015724
    • NS00015220
    • EN300-20961
    • O11053
    • A831909
    • AE-562/43460593
    • Q27116004
    • InChI=1/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
    • 209-553-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.89
    methanol 291.28
    isopropanol 437.51
    water 0.96
    ethyl acetate 466.3
    n-propanol 404.0
    acetone 625.58
    n-butanol 375.82
    acetonitrile 373.07
    DMF 619.54
    toluene 138.5
    isobutanol 323.95
    1,4-dioxane 525.05
    methyl acetate 481.25
    THF 1269.01
    2-butanone 680.72
    n-pentanol 248.91
    sec-butanol 419.47
    n-hexane 122.98
    ethylene glycol 95.62
    NMP 355.34
    cyclohexane 71.56
    DMSO 389.21
    n-butyl acetate 383.67
    n-octanol 278.03
    chloroform 485.68
    n-propyl acetate 233.67
    acetic acid 128.51
    dichloromethane 320.85
    cyclohexanone 446.05
    propylene glycol 190.6
    isopropyl acetate 296.32
    DMAc 466.4
    2-ethoxyethanol 260.7
    isopentanol 320.93
    n-heptane 101.19
    ethyl formate 229.45
    1,2-dichloroethane 285.49
    n-hexanol 643.66
    2-methoxyethanol 427.24
    isobutyl acetate 178.71
    tetrachloromethane 99.33
    n-pentyl acetate 187.32
    transcutol 432.4
    n-heptanol 261.35
    ethylbenzene 141.11
    MIBK 303.76
    2-propoxyethanol 683.46
    tert-butanol 605.24
    MTBE 592.19
    2-butoxyethanol 318.89
    propionic acid 229.08
    o-xylene 108.12
    formic acid 44.74
    diethyl ether 482.82
    m-xylene 144.99
    p-xylene 154.36
    chlorobenzene 162.69
    dimethyl carbonate 163.75
    n-octane 49.95
    formamide 77.71
    cyclopentanone 775.91
    2-pentanone 511.31
    anisole 285.22
    cyclopentyl methyl ether 472.06
    gamma-butyrolactone 601.12
    1-methoxy-2-propanol 531.81
    pyridine 253.09
    3-pentanone 369.42
    furfural 316.85
    n-dodecane 39.35
    diethylene glycol 332.57
    diisopropyl ether 179.61
    tert-amyl alcohol 469.92
    acetylacetone 389.46
    n-hexadecane 42.16
    acetophenone 187.73
    methyl propionate 402.26
    isopentyl acetate 336.62
    trichloroethylene 438.62
    n-nonanol 231.44
    cyclohexanol 236.79
    benzyl alcohol 145.16
    2-ethylhexanol 306.8
    isooctanol 198.5
    dipropyl ether 358.33
    1,2-dichlorobenzene 153.24
    ethyl lactate 147.91
    propylene carbonate 299.2
    n-methylformamide 254.76
    2-pentanol 333.31
    n-pentane 87.41
    1-propoxy-2-propanol 491.28
    1-methoxy-2-propyl acetate 374.66
    2-(2-methoxypropoxy) propanol 230.29
    mesitylene 98.51
    ε-caprolactone 338.51
    p-cymene 107.91
    epichlorohydrin 587.6
    1,1,1-trichloroethane 385.66
    2-aminoethanol 201.4
    morpholine-4-carbaldehyde 394.43
    sulfolane 511.93
    2,2,4-trimethylpentane 48.69
    2-methyltetrahydrofuran 705.62
    n-hexyl acetate 315.16
    isooctane 50.02
    2-(2-butoxyethoxy)ethanol 326.05
    sec-butyl acetate 184.06
    tert-butyl acetate 338.59
    decalin 53.96
    glycerin 177.18
    diglyme 485.78
    acrylic acid 148.02
    isopropyl myristate 137.78
    n-butyric acid 295.02
    acetyl acetate 199.58
    di(2-ethylhexyl) phthalate 99.71
    ethyl propionate 252.74
    nitromethane 334.01
    1,2-diethoxyethane 269.3
    benzonitrile 166.83
    trioctyl phosphate 97.83
    1-bromopropane 290.36
    gamma-valerolactone 583.39
    n-decanol 191.11
    triethyl phosphate 108.56
    4-methyl-2-pentanol 226.58
    propionitrile 413.89
    vinylene carbonate 213.62
    1,1,2-trichlorotrifluoroethane 275.78
    DMS 195.01
    cumene 114.31
    2-octanol 189.86
    2-hexanone 314.6
    octyl acetate 185.71
    limonene 152.31
    1,2-dimethoxyethane 470.41
    ethyl orthosilicate 110.55
    tributyl phosphate 101.55
    diacetone alcohol 393.33
    N,N-dimethylaniline 185.08
    acrylonitrile 349.92
    aniline 157.87
    1,3-propanediol 235.0
    bromobenzene 168.08
    dibromomethane 273.22
    1,1,2,2-tetrachloroethane 416.65
    2-methyl-cyclohexyl acetate 190.15
    tetrabutyl urea 132.83
    diisobutyl methanol 172.27
    2-phenylethanol 254.38
    styrene 140.33
    dioctyl adipate 135.44
    dimethyl sulfate 219.66
    ethyl butyrate 244.89
    methyl lactate 211.26
    butyl lactate 161.73
    diethyl carbonate 150.08
    propanediol butyl ether 246.72
    triethyl orthoformate 153.36
    p-tert-butyltoluene 118.45
    methyl 4-tert-butylbenzoate 213.45
    morpholine 539.44
    tert-butylamine 388.03
    n-dodecanol 148.02
    dimethoxymethane 450.03
    ethylene carbonate 194.65
    cyrene 206.79
    2-ethoxyethyl acetate 210.24
    2-ethylhexyl acetate 252.72
    1,2,4-trichlorobenzene 167.45
    4-methylpyridine 262.94
    dibutyl ether 235.69
    2,6-dimethyl-4-heptanol 172.27
    DEF 326.73
    dimethyl isosorbide 365.38
    tetrachloroethylene 220.67
    eugenol 202.09
    triacetin 193.22
    span 80 222.25
    1,4-butanediol 107.75
    1,1-dichloroethane 416.48
    2-methyl-1-pentanol 217.12
    methyl formate 208.26
    2-methyl-1-butanol 292.11
    n-decane 64.18
    butyronitrile 387.27
    3,7-dimethyl-1-octanol 232.05
    1-chlorooctane 188.97
    1-chlorotetradecane 79.31
    n-nonane 66.63
    undecane 49.22
    tert-butylcyclohexane 71.62
    cyclooctane 37.84
    cyclopentanol 332.9
    tetrahydropyran 579.15
    tert-amyl methyl ether 399.48
    2,5,8-trioxanonane 320.47
    1-hexene 287.41
    2-isopropoxyethanol 241.01
    2,2,2-trifluoroethanol 67.66
    methyl butyrate 273.39

    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
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.05%