p-tert-Pentylphenol

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  • Identifiers

    CAS number
    80-46-6

    Molecular formula
    C11H16O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 76.81%
    Spicy 62.71%
    Leathery 54.27%
    Medicinal 51.35%
    Smoky 47.64%
    Woody 43.83%
    Animal 37.55%
    Dry 32.92%
    Burnt 32.85%
    Herbal 29.89%

     

    Flavor
    Phenolic 45.69%
    Woody 42.99%
    Medicinal 39.69%
    Camphor 37.19%
    Spice 32.25%
    Leather 28.68%
    Guaiacol 23.77%
    Creosote 23.26%
    Spicy 23.12%
    Thymol 22.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.39 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 190 to 205 °F (NTP, 1992)
    • 94-95 °C

    Boiling point

    • 504.5 °F at 760 mmHg ; 280 °F at 15 mmHg; 491-513 °F (NTP, 1992)
    • 262.5 °C
    • Boiling point: 248-250 °C at 740 mm Hg; 138.5 °C at 15 mm Hg; 112-120 °C at 3 mm Hg

    Flash point

    • 112.03 ˚C est.
    • 232 °F (NTP, 1992)
    • 232 °F (111 °C) (Open cup)

    Solubility expt.

    • less than 1 mg/mL at 79 °F (NTP, 1992)
    • Soluble in alcohol, ether, benzene, chloroform.
    • In water, 1.68X10+2 m/L at 25 °C

  • Synonyms

    • 4-tert-Amylphenol
    • 80-46-6
    • 4-tert-Pentylphenol
    • p-tert-Pentylphenol
    • p-tert-Amylphenol
    • 4-t-Amylphenol
    • 4-(2-methylbutan-2-yl)phenol
    • Pentaphen
    • 4-(1,1-DIMETHYLPROPYL)PHENOL
    • Amilfenol
    • Amilphenol
    • tert-Amylphenol
    • Phenol, 4-(1,1-dimethylpropyl)-
    • Amyl phenol 4T
    • Ptap
    • Phenol, p-tert-pentyl-
    • p-t-Pentylphenol
    • Ucar amyl phenol 4T
    • p-(1,1-Dimethylpropyl)phenol
    • para-tert-Amylphenol
    • 2-Methyl-2-p-hydroxyphenylbutane
    • Caswell No. 050
    • 4-(tert-pentyl)phenol
    • 4-(1,1-Dimethylpropyl)-1-phenol
    • 4-t-pentylphenol
    • Phenol, p-(tert-pentyl)-
    • 1-Hydroxy-4-(1,1-dimethylpropyl)benzene
    • MFCD00002369
    • CCRIS 4693
    • NSC 403672
    • HSDB 5236
    • EINECS 201-280-9
    • p-(alpha,alpha-Dimethylpropyl)phenol
    • AMYLPHENOL, P-TERT-
    • tertiary amyl phenol
    • EPA Pesticide Chemical Code 064101
    • BRN 1908224
    • 6NP9LYK846
    • DTXSID8021771
    • AI3-00460
    • NSC-403672
    • AMYLPHENOL [MART.]
    • CHEMBL195693
    • DTXCID001771
    • CHEBI:35096
    • NRZWYNLTFLDQQX-UHFFFAOYSA-
    • P-TERT-PENTYLPHENOL [MI]
    • EC 201-280-9
    • 4-06-00-03383 (Beilstein Handbook Reference)
    • NCGC00091655-02
    • p-(.alpha.,.alpha.-Dimethylpropyl)phenol
    • 4-(1,1-DIMETHYLPROPYL)PHENOL [HSDB]
    • Phenol,1-dimethylpropyl)-
    • AMYLPHENOL (MART.)
    • WLN: QR D1X1&1&1
    • p-t-amylphenol
    • CAS-80-46-6
    • 4-tert-pentyphenol
    • para-tertiary-amyl-phenol
    • UNII-6NP9LYK846
    • ptertAmylphenol
    • ptPentylphenol
    • tertAmylphenol
    • 4tertAmylphenol
    • 4tAmylphenol
    • p-tertamylphenol
    • 4tertPentylphenol
    • paratertAmylphenol
    • p-t-Amyl phenol
    • Nipacide PTAP
    • Pentaphen 67
    • Phenol, ptertpentyl
    • Para-tertiary amylphenol
    • 2Methyl2phydroxyphenylbutane
    • 4-tert-Amylphenol, 99%
    • p(1,1Dimethylpropyl)phenol
    • 4(1,1Dimethylpropyl)phenol
    • SCHEMBL49704
    • MLS002152935
    • 4(1,1Dimethylpropyl)1phenol
    • BIDD:ER0210
    • Phenol, 4(1,1dimethylpropyl)
    • NSC4965
    • p(alpha,alphaDimethylpropyl)phenol
    • p-(1,1-Dimethyl propyl) phenol
    • 4-(1,1-Dimethyl-propyl)-phenol
    • HMS3039M10
    • NSC-4965
    • Tox21_111159
    • Tox21_202351
    • Tox21_300088
    • 1Hydroxy4(1,1dimethylpropyl)benzene
    • BDBM50410536
    • MSK400062
    • NSC403672
    • AKOS000119604
    • Tox21_111159_1
    • 4-tert-Amylphenol, analytical standard
    • 4-(1,1-DIMETHYLPROPYL)-PHENOL
    • USEPA/OPP Pesticide Code: 064101
    • 1-Hydroxy-4-(2-methyl-2-butyl)benzene
    • NCGC00091655-01
    • NCGC00091655-03
    • NCGC00091655-04
    • NCGC00091655-05
    • NCGC00254041-01
    • NCGC00259900-01
    • AC-16506
    • SMR001224530
    • 1ST400062
    • DB-000247
    • MSK400062-1000
    • A0460
    • CS-0152629
    • NS00004107
    • EN300-20303
    • 1-HYDROXY-4(2-METHYL-2-BUTYL)BENZENE
    • E76129
    • 1ST400062-1000
    • 4-tert-Amylphenol Solution in Methanol, 1000?g/mL
    • 4-tert-Amylphenol Solution in Methanol, 1000mug/mL
    • Q26840951
    • Z104477686

  • Applications

    p-tert-Pentylphenol, CAS 80-46-6, finds applications across several industries as an intermediate and additive. In perfumery and cosmetics, it serves as a fragrance ingredient and a precursor for other aroma compounds. In polymers and plastics, it functions as a hindered phenol antioxidant/stabilizer to improve thermal and oxidative stability. In coatings and inks, it is used as a precursor for specialty additives and as a building block for stabilizer formulations. In adhesives, it can be employed as an additive to tailor formulation properties. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4747.2
    methanol 3064.22
    isopropanol 2694.17
    water 0.81
    ethyl acetate 6989.97
    n-propanol 4511.73
    acetone 6510.49
    n-butanol 3422.71
    acetonitrile 4728.27
    DMF 4502.31
    toluene 832.58
    isobutanol 2311.19
    1,4-dioxane 4429.84
    methyl acetate 4904.34
    THF 8259.83
    2-butanone 6193.96
    n-pentanol 1382.99
    sec-butanol 2339.57
    n-hexane 182.4
    ethylene glycol 371.9
    NMP 2488.91
    cyclohexane 197.59
    DMSO 3490.38
    n-butyl acetate 2954.16
    n-octanol 484.95
    chloroform 2837.82
    n-propyl acetate 2129.27
    acetic acid 1224.57
    dichloromethane 3773.42
    cyclohexanone 3659.54
    propylene glycol 756.5
    isopropyl acetate 2697.83
    DMAc 2274.91
    2-ethoxyethanol 2016.69
    isopentanol 1936.9
    n-heptane 120.55
    ethyl formate 2708.41
    1,2-dichloroethane 3428.19
    n-hexanol 2033.84
    2-methoxyethanol 4185.61
    isobutyl acetate 901.34
    tetrachloromethane 557.46
    n-pentyl acetate 835.01
    transcutol 5817.09
    n-heptanol 536.06
    ethylbenzene 369.3
    MIBK 1700.86
    2-propoxyethanol 3306.25
    tert-butanol 2674.75
    MTBE 3975.6
    2-butoxyethanol 1059.9
    propionic acid 2366.26
    o-xylene 373.42
    formic acid 495.64
    diethyl ether 5397.99
    m-xylene 548.43
    p-xylene 430.72
    chlorobenzene 1227.56
    dimethyl carbonate 1224.71
    n-octane 39.21
    formamide 1824.11
    cyclopentanone 6463.75
    2-pentanone 5275.05
    anisole 1209.37
    cyclopentyl methyl ether 3215.33
    gamma-butyrolactone 6703.08
    1-methoxy-2-propanol 3245.32
    pyridine 2737.79
    3-pentanone 3485.74
    furfural 2564.48
    n-dodecane 23.57
    diethylene glycol 1317.96
    diisopropyl ether 1050.51
    tert-amyl alcohol 2089.51
    acetylacetone 3063.42
    n-hexadecane 28.15
    acetophenone 819.73
    methyl propionate 4631.86
    isopentyl acetate 1901.08
    trichloroethylene 4517.89
    n-nonanol 390.44
    cyclohexanol 1192.22
    benzyl alcohol 620.12
    2-ethylhexanol 843.32
    isooctanol 395.58
    dipropyl ether 1717.38
    1,2-dichlorobenzene 902.24
    ethyl lactate 541.58
    propylene carbonate 2270.06
    n-methylformamide 4369.6
    2-pentanol 1868.26
    n-pentane 202.71
    1-propoxy-2-propanol 2071.19
    1-methoxy-2-propyl acetate 2297.31
    2-(2-methoxypropoxy) propanol 750.98
    mesitylene 320.28
    ε-caprolactone 2804.22
    p-cymene 237.52
    epichlorohydrin 6755.85
    1,1,1-trichloroethane 2473.77
    2-aminoethanol 1493.51
    morpholine-4-carbaldehyde 2709.67
    sulfolane 3927.94
    2,2,4-trimethylpentane 97.35
    2-methyltetrahydrofuran 5893.62
    n-hexyl acetate 1241.67
    isooctane 95.84
    2-(2-butoxyethoxy)ethanol 1343.08
    sec-butyl acetate 1203.42
    tert-butyl acetate 2277.48
    decalin 101.52
    glycerin 645.69
    diglyme 2401.12
    acrylic acid 1227.99
    isopropyl myristate 350.75
    n-butyric acid 3048.45
    acetyl acetate 1625.97
    di(2-ethylhexyl) phthalate 249.35
    ethyl propionate 2097.94
    nitromethane 4333.28
    1,2-diethoxyethane 2623.14
    benzonitrile 993.49
    trioctyl phosphate 229.85
    1-bromopropane 1896.36
    gamma-valerolactone 5326.39
    n-decanol 279.01
    triethyl phosphate 350.16
    4-methyl-2-pentanol 764.87
    propionitrile 4193.29
    vinylene carbonate 1732.3
    1,1,2-trichlorotrifluoroethane 1661.0
    DMS 953.84
    cumene 235.63
    2-octanol 324.27
    2-hexanone 1960.29
    octyl acetate 441.35
    limonene 435.68
    1,2-dimethoxyethane 2989.14
    ethyl orthosilicate 367.06
    tributyl phosphate 334.93
    diacetone alcohol 1923.07
    N,N-dimethylaniline 559.65
    acrylonitrile 3665.09
    aniline 1240.75
    1,3-propanediol 1935.31
    bromobenzene 1191.33
    dibromomethane 2316.61
    1,1,2,2-tetrachloroethane 2853.42
    2-methyl-cyclohexyl acetate 679.36
    tetrabutyl urea 344.33
    diisobutyl methanol 402.61
    2-phenylethanol 854.82
    styrene 473.25
    dioctyl adipate 470.39
    dimethyl sulfate 1283.74
    ethyl butyrate 1612.11
    methyl lactate 926.4
    butyl lactate 608.63
    diethyl carbonate 802.22
    propanediol butyl ether 830.77
    triethyl orthoformate 741.51
    p-tert-butyltoluene 264.67
    methyl 4-tert-butylbenzoate 581.16
    morpholine 6450.72
    tert-butylamine 1761.73
    n-dodecanol 194.25
    dimethoxymethane 4035.78
    ethylene carbonate 1688.27
    cyrene 620.77
    2-ethoxyethyl acetate 1348.78
    2-ethylhexyl acetate 1332.26
    1,2,4-trichlorobenzene 977.12
    4-methylpyridine 2635.28
    dibutyl ether 883.48
    2,6-dimethyl-4-heptanol 402.61
    DEF 3513.62
    dimethyl isosorbide 1452.68
    tetrachloroethylene 1704.74
    eugenol 519.99
    triacetin 773.89
    span 80 606.01
    1,4-butanediol 456.9
    1,1-dichloroethane 3218.88
    2-methyl-1-pentanol 957.81
    methyl formate 2590.89
    2-methyl-1-butanol 1956.16
    n-decane 48.61
    butyronitrile 3945.43
    3,7-dimethyl-1-octanol 490.95
    1-chlorooctane 307.63
    1-chlorotetradecane 89.71
    n-nonane 50.11
    undecane 32.83
    tert-butylcyclohexane 112.05
    cyclooctane 75.02
    cyclopentanol 1724.75
    tetrahydropyran 5680.61
    tert-amyl methyl ether 2017.53
    2,5,8-trioxanonane 1234.84
    1-hexene 814.59
    2-isopropoxyethanol 1209.06
    2,2,2-trifluoroethanol 414.72
    methyl butyrate 2484.26

    Scent© AI

1 4

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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