4-tert-Butylbenzyl alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    877-65-6

    Molecular formula
    C11H16O

    SMILES
    CC(C)(C)C1=CC=C(C=C1)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 53.06%
    Herbal 52.53%
    Spicy 50.32%
    Floral 46.32%
    Leathery 40.84%
    Balsamic 36.92%
    Phenolic 36.64%
    Sweet 34.23%
    Dry 33.92%
    Camphoreous 31.25%

     

    Flavor
    Floral 40.47%
    Spicy 39.71%
    Herbal 39.34%
    Woody 36.27%
    Sweet 33.2%
    Phenolic 29.69%
    Musty 28.18%
    Earthy 28.06%
    Spice 27.17%
    Camphor 26.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.4 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 115.74 ˚C est.

  • Synonyms

    • 4-TERT-BUTYLBENZYL ALCOHOL
    • 877-65-6
    • (4-(tert-Butyl)phenyl)methanol
    • (4-tert-Butylphenyl)methanol
    • 4-t-butylbenzyl alcohol
    • p-tert-Butylbenzyl alcohol
    • Benzenemethanol, 4-(1,1-dimethylethyl)-
    • T4Q3YX9P4N
    • 4-(1,1-Dimethylethyl)benzenemethanol
    • 4(t-Butyl)benzylalcohol
    • MFCD00004662
    • 4-(tert-butyl)benzyl alcohol
    • DTXSID5061249
    • 4-t-butylbenzylalcohol
    • EINECS 212-894-1
    • AI3-21419
    • UNII-T4Q3YX9P4N
    • 4-(tert-Buyl)benzyl alcohol
    • SCHEMBL113722
    • 4-(tert-butyl)-benzyl alcohol
    • (4-tert-Butylphenyl)methanol #
    • DTXCID6048595
    • CHEBI:167335
    • 4-tert-Butylbenzyl alcohol, 98%
    • STR01483
    • AKOS000121287
    • CS-W014310
    • FB67536
    • SY032897
    • DB-011387
    • B1761
    • NS00039220
    • EN300-21330
    • H10785
    • 212-894-1

  • Applications

    4-tert-Butylbenzyl alcohol (CAS 877-65-6) is primarily used as an odorant and fixative in perfumery, acting as a fragrance ingredient or performance modifier. It is also employed as an intermediate in fragrance and flavor chemistry to prepare substituted benzaldehydes and related esters used in scents. In cosmetics and personal care, it serves as a precursor for fragrance components included in formulations. In industrial manufacturing, it provides a building block for the synthesis of specialty chemicals used in coatings, inks, and adhesives, expanding the portfolio of benzyl derivatives. It may also be evaluated as a starting material for polymer-related intermediates or other functional compounds, within the scope of formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 899.93
    methanol 759.43
    isopropanol 604.48
    water 1.12
    ethyl acetate 950.67
    n-propanol 879.34
    acetone 810.11
    n-butanol 829.5
    acetonitrile 871.75
    DMF 753.13
    toluene 310.05
    isobutanol 531.19
    1,4-dioxane 1046.1
    methyl acetate 802.93
    THF 1418.51
    2-butanone 869.77
    n-pentanol 431.95
    sec-butanol 605.01
    n-hexane 146.34
    ethylene glycol 121.11
    NMP 631.75
    cyclohexane 146.33
    DMSO 612.88
    n-butyl acetate 683.52
    n-octanol 206.51
    chloroform 1192.35
    n-propyl acetate 512.72
    acetic acid 418.04
    dichloromethane 946.36
    cyclohexanone 798.98
    propylene glycol 242.9
    isopropyl acetate 463.47
    DMAc 571.35
    2-ethoxyethanol 560.41
    isopentanol 576.78
    n-heptane 85.71
    ethyl formate 514.58
    1,2-dichloroethane 745.64
    n-hexanol 644.42
    2-methoxyethanol 1003.23
    isobutyl acetate 261.68
    tetrachloromethane 271.46
    n-pentyl acetate 245.23
    transcutol 1674.19
    n-heptanol 246.88
    ethylbenzene 189.8
    MIBK 384.23
    2-propoxyethanol 819.06
    tert-butanol 753.34
    MTBE 816.96
    2-butoxyethanol 408.39
    propionic acid 529.09
    o-xylene 192.59
    formic acid 205.72
    diethyl ether 1067.27
    m-xylene 226.6
    p-xylene 209.1
    chlorobenzene 410.96
    dimethyl carbonate 254.26
    n-octane 22.95
    formamide 424.16
    cyclopentanone 962.69
    2-pentanone 782.76
    anisole 431.25
    cyclopentyl methyl ether 744.34
    gamma-butyrolactone 1014.02
    1-methoxy-2-propanol 737.12
    pyridine 739.28
    3-pentanone 625.24
    furfural 743.3
    n-dodecane 10.87
    diethylene glycol 437.91
    diisopropyl ether 284.7
    tert-amyl alcohol 637.6
    acetylacetone 468.48
    n-hexadecane 12.9
    acetophenone 310.78
    methyl propionate 735.22
    isopentyl acetate 473.43
    trichloroethylene 1210.0
    n-nonanol 172.35
    cyclohexanol 471.37
    benzyl alcohol 274.47
    2-ethylhexanol 353.55
    isooctanol 188.47
    dipropyl ether 535.01
    1,2-dichlorobenzene 360.05
    ethyl lactate 234.25
    propylene carbonate 543.56
    n-methylformamide 720.77
    2-pentanol 552.52
    n-pentane 141.13
    1-propoxy-2-propanol 649.23
    1-methoxy-2-propyl acetate 575.28
    2-(2-methoxypropoxy) propanol 310.53
    mesitylene 150.51
    ε-caprolactone 697.59
    p-cymene 133.98
    epichlorohydrin 1101.04
    1,1,1-trichloroethane 715.69
    2-aminoethanol 406.97
    morpholine-4-carbaldehyde 755.93
    sulfolane 817.73
    2,2,4-trimethylpentane 61.41
    2-methyltetrahydrofuran 1087.79
    n-hexyl acetate 352.78
    isooctane 53.22
    2-(2-butoxyethoxy)ethanol 472.6
    sec-butyl acetate 324.78
    tert-butyl acetate 494.9
    decalin 62.93
    glycerin 246.87
    diglyme 874.17
    acrylic acid 365.06
    isopropyl myristate 113.46
    n-butyric acid 717.51
    acetyl acetate 337.73
    di(2-ethylhexyl) phthalate 108.07
    ethyl propionate 497.95
    nitromethane 844.26
    1,2-diethoxyethane 616.52
    benzonitrile 340.38
    trioctyl phosphate 84.82
    1-bromopropane 548.34
    gamma-valerolactone 1030.85
    n-decanol 118.09
    triethyl phosphate 160.16
    4-methyl-2-pentanol 286.11
    propionitrile 829.24
    vinylene carbonate 476.72
    1,1,2-trichlorotrifluoroethane 663.53
    DMS 243.58
    cumene 127.03
    2-octanol 134.96
    2-hexanone 463.77
    octyl acetate 143.37
    limonene 206.99
    1,2-dimethoxyethane 876.84
    ethyl orthosilicate 181.28
    tributyl phosphate 118.44
    diacetone alcohol 526.06
    N,N-dimethylaniline 261.17
    acrylonitrile 740.95
    aniline 470.11
    1,3-propanediol 532.49
    bromobenzene 395.15
    dibromomethane 710.1
    1,1,2,2-tetrachloroethane 1021.03
    2-methyl-cyclohexyl acetate 268.11
    tetrabutyl urea 135.23
    diisobutyl methanol 197.9
    2-phenylethanol 326.49
    styrene 230.78
    dioctyl adipate 160.31
    dimethyl sulfate 289.21
    ethyl butyrate 471.11
    methyl lactate 287.48
    butyl lactate 227.15
    diethyl carbonate 271.63
    propanediol butyl ether 323.52
    triethyl orthoformate 303.07
    p-tert-butyltoluene 139.77
    methyl 4-tert-butylbenzoate 248.96
    morpholine 1372.88
    tert-butylamine 614.79
    n-dodecanol 82.15
    dimethoxymethane 693.56
    ethylene carbonate 430.86
    cyrene 273.15
    2-ethoxyethyl acetate 346.43
    2-ethylhexyl acetate 380.74
    1,2,4-trichlorobenzene 405.46
    4-methylpyridine 712.46
    dibutyl ether 292.35
    2,6-dimethyl-4-heptanol 197.9
    DEF 730.3
    dimethyl isosorbide 481.42
    tetrachloroethylene 646.91
    eugenol 233.08
    triacetin 271.74
    span 80 261.67
    1,4-butanediol 173.66
    1,1-dichloroethane 789.17
    2-methyl-1-pentanol 339.47
    methyl formate 443.92
    2-methyl-1-butanol 557.2
    n-decane 25.07
    butyronitrile 805.07
    3,7-dimethyl-1-octanol 215.38
    1-chlorooctane 131.75
    1-chlorotetradecane 37.41
    n-nonane 26.94
    undecane 15.72
    tert-butylcyclohexane 73.24
    cyclooctane 57.77
    cyclopentanol 448.3
    tetrahydropyran 1177.04
    tert-amyl methyl ether 578.49
    2,5,8-trioxanonane 468.27
    1-hexene 401.53
    2-isopropoxyethanol 372.39
    2,2,2-trifluoroethanol 151.24
    methyl butyrate 567.33

    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
Cupressus funebris Cupressus funebris Endl., fam. Cupressaceae 0.56%