4-tert-Butylcyclohexanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    98-52-2

    Molecular formula
    C10H20O

    SMILES
    CC(C)(C)C1CCC(CC1)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1214.0

  • Odor profile

    Woody 82.86%
    Camphoreous 64.82%
    Mint 52.8%
    Earthy 47.1%
    Dry 46.65%
    Leathery 45.05%
    Pine 42.79%
    Amber 41.93%
    Clean 35.92%
    Herbal 35.91%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.6 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    91.73 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4-tert-Butylcyclohexanol
    • 98-52-2
    • cis-4-tert-Butylcyclohexanol
    • 937-05-3
    • trans-4-tert-butylcyclohexanol
    • 21862-63-5
    • 4-(tert-Butyl)cyclohexanol
    • cis-4-(tert-Butyl)cyclohexanol
    • 4-tert-butylcyclohexan-1-ol
    • Cyclohexanol, 4-(1,1-dimethylethyl)-
    • Padaryl
    • trans-4-(tert-Butyl)cyclohexanol
    • p-tert-Butylcyclohexanol
    • CYCLOHEXANOL, 4-tert-BUTYL-
    • 4-t-Butylcyclohexanol
    • Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-
    • USAF DO-20
    • Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-
    • 4-tert-butyl-1-cyclohexanol
    • Cyclohexanol, 4-tert-butyl-, cis-
    • EINECS 202-676-4
    • NSC 404197
    • UNII-K0H1405S9C
    • BRN 1902277
    • 4-tert-Butylcyclohexanol, cis-
    • DTXSID5026623
    • AI3-02503
    • MFCD00001473
    • F5FZ4Y0UMG
    • 4-tert-Butylcyclohexanol,c&t
    • DTXCID606623
    • cis-4-tert-butyl-1-cyclohexanol
    • 4-tert-Butylcyclohexanol, trans-
    • EC 202-676-4
    • K0H1405S9C
    • L5067JRJ73
    • 1-06-00-00018 (Beilstein Handbook Reference)
    • NSC-404197
    • (1S,4S)-4-TERT-BUTYLCYCLOHEXAN-1-OL
    • 4-tert-Butyl cyclohexanol
    • CAS-98-52-2
    • Patchona cruda
    • UNII-L5067JRJ73
    • 4-(tert-butyl)cyclohexan-1-ol
    • trans-4-tert-Butyl-cyclohexanol
    • cis-4-tert-Butylcyclohexan-1-ol
    • EINECS 213-321-8
    • MFCD00064952
    • MFCD00070476
    • ptertButylcyclohexanol
    • PATCHONE
    • 4-terbutyl-cyclohexanol
    • Cyclohexanol, 4tertbutyl
    • p-tert-butyl cyclohexanol
    • UNII-F5FZ4Y0UMG
    • 4-tert-butyl-cyclohexanol
    • Cis-4-t-butylcyclohexanol
    • 4-t-butyl-1-cyclohexanol
    • cis-4-tertbutylcyclohexanol
    • 4-tert.-Butyl-cyclohexanol
    • trans-4-t-butylcyclohexanol
    • Hexahydro-p-tert-butylphenol
    • cis 4-tert-Butylcyclohexanol
    • cis-4-(t-butyl)cyclohexanol
    • cis 4-tert-Butyl-cyclohexanol
    • cis-4-tert-butyl cyclohexanol
    • cis-4-tert-Butyl-cyclohexanol
    • SCHEMBL114150
    • SCHEMBL579272
    • SCHEMBL579573
    • (E)-4-tert-Butylcyclohexanol
    • 4-tert-butyl-cyclohexan-1-ol
    • Cyclohexanol,1-dimethylethyl)-
    • cis-4-tert.-butyl-cyclohexanol
    • SCHEMBL7752973
    • SCHEMBL8365597
    • trans 4-tert-Butyl-cyclohexanol
    • trans-4-tert-butyl cyclohexanol
    • CHEMBL1886723
    • FEMA NO. 4724
    • 4-tert-Butylcyclohexanol, (Z)-
    • DTXSID40883571
    • DTXSID50885182
    • (1s,4s)-4-tert-butylcyclohexanol
    • 4-(1,1-dimethylethyl)cyclohexanol
    • BCP30881
    • Cyclohexanol, 4(1,1dimethylethyl)
    • STR03673
    • 4-CIS-TERT-BUTYLCYCLOHEXANOL
    • Tox21_201515
    • Tox21_303090
    • BBL019113
    • NSC404197
    • STL199047
    • 4-T-BUTYLCYCLOHEXANOL [INCI]
    • TRANS-P-TERT-BUTYLCYCLOHEXANOL
    • AKOS000120382
    • AKOS015837822
    • AKOS015837824
    • CS-W010920
    • SB83913
    • SB84138
    • NCGC00164215-01
    • NCGC00164215-02
    • NCGC00256931-01
    • NCGC00259065-01
    • AS-60214
    • AS-60986
    • TRANS-1-TERT-BUTYLCYCLOHEXAN-4-OL
    • TRANS-4-TERT-BUTYL-1-CYCLOHEXANOL
    • WLN: L6TJ AX1 & 1 & 1 DQ
    • Cyclohexanol,4-(1,1-dimethylethyl)-,cis-
    • DB-045718
    • DB-080541
    • DB-369944
    • TRANS-4-TERT-BUTYLCYCLOHEXYL ALCOHOL
    • B0383
    • B1270
    • B1271
    • CS-0343022
    • CS-0343024
    • CYCLOHEXANOL, 4-TERT-BUTYL-, TRANS-
    • NS00002002
    • NS00079520
    • cyclohexanol, 4-(1,1-dimethylethyl)-, trans
    • EN300-20213
    • (1R,4R)-4-TERT-BUTYLCYCLOHEXAN-1-OL
    • EC 700-127-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 671.23
    methanol 355.11
    isopropanol 658.97
    water 0.72
    ethyl acetate 734.08
    n-propanol 631.86
    acetone 773.41
    n-butanol 645.44
    acetonitrile 640.48
    DMF 538.07
    toluene 268.21
    isobutanol 469.17
    1,4-dioxane 1251.01
    methyl acetate 599.98
    THF 2383.15
    2-butanone 700.12
    n-pentanol 259.9
    sec-butanol 476.96
    n-hexane 128.57
    ethylene glycol 75.44
    NMP 553.46
    cyclohexane 267.7
    DMSO 460.99
    n-butyl acetate 847.5
    n-octanol 303.49
    chloroform 1244.38
    n-propyl acetate 367.54
    acetic acid 338.41
    dichloromethane 1072.77
    cyclohexanone 959.9
    propylene glycol 187.91
    isopropyl acetate 484.89
    DMAc 353.03
    2-ethoxyethanol 280.8
    isopentanol 522.95
    n-heptane 242.38
    ethyl formate 475.1
    1,2-dichloroethane 620.43
    n-hexanol 767.93
    2-methoxyethanol 617.83
    isobutyl acetate 261.8
    tetrachloromethane 273.11
    n-pentyl acetate 329.93
    transcutol 1193.17
    n-heptanol 331.61
    ethylbenzene 140.85
    MIBK 374.33
    2-propoxyethanol 778.79
    tert-butanol 832.33
    MTBE 747.28
    2-butoxyethanol 417.44
    propionic acid 402.4
    o-xylene 178.96
    formic acid 74.05
    diethyl ether 716.49
    m-xylene 217.98
    p-xylene 195.9
    chlorobenzene 376.36
    dimethyl carbonate 153.68
    n-octane 70.02
    formamide 136.91
    cyclopentanone 1257.6
    2-pentanone 588.57
    anisole 273.01
    cyclopentyl methyl ether 794.28
    gamma-butyrolactone 1241.47
    1-methoxy-2-propanol 581.87
    pyridine 596.65
    3-pentanone 419.88
    furfural 671.07
    n-dodecane 47.58
    diethylene glycol 362.01
    diisopropyl ether 289.65
    tert-amyl alcohol 523.8
    acetylacetone 563.93
    n-hexadecane 53.2
    acetophenone 222.49
    methyl propionate 453.47
    isopentyl acetate 660.23
    trichloroethylene 955.06
    n-nonanol 257.87
    cyclohexanol 539.79
    benzyl alcohol 171.18
    2-ethylhexanol 471.07
    isooctanol 252.02
    dipropyl ether 684.99
    1,2-dichlorobenzene 324.4
    ethyl lactate 151.35
    propylene carbonate 672.08
    n-methylformamide 350.02
    2-pentanol 404.65
    n-pentane 160.88
    1-propoxy-2-propanol 699.77
    1-methoxy-2-propyl acetate 629.72
    2-(2-methoxypropoxy) propanol 338.52
    mesitylene 163.7
    ε-caprolactone 749.21
    p-cymene 186.86
    epichlorohydrin 1080.9
    1,1,1-trichloroethane 732.48
    2-aminoethanol 222.11
    morpholine-4-carbaldehyde 639.78
    sulfolane 967.82
    2,2,4-trimethylpentane 78.55
    2-methyltetrahydrofuran 1384.51
    n-hexyl acetate 506.48
    isooctane 81.06
    2-(2-butoxyethoxy)ethanol 517.21
    sec-butyl acetate 260.47
    tert-butyl acetate 537.33
    decalin 87.9
    glycerin 189.62
    diglyme 796.19
    acrylic acid 248.1
    isopropyl myristate 228.11
    n-butyric acid 718.3
    acetyl acetate 394.67
    di(2-ethylhexyl) phthalate 172.03
    ethyl propionate 342.78
    nitromethane 608.41
    1,2-diethoxyethane 617.07
    benzonitrile 313.32
    trioctyl phosphate 164.54
    1-bromopropane 561.08
    gamma-valerolactone 1199.8
    n-decanol 196.19
    triethyl phosphate 184.12
    4-methyl-2-pentanol 276.94
    propionitrile 618.11
    vinylene carbonate 506.98
    1,1,2-trichlorotrifluoroethane 450.93
    DMS 276.17
    cumene 115.91
    2-octanol 208.11
    2-hexanone 343.18
    octyl acetate 272.26
    limonene 327.52
    1,2-dimethoxyethane 561.4
    ethyl orthosilicate 189.31
    tributyl phosphate 199.02
    diacetone alcohol 458.8
    N,N-dimethylaniline 175.25
    acrylonitrile 502.46
    aniline 320.48
    1,3-propanediol 394.33
    bromobenzene 404.4
    dibromomethane 804.71
    1,1,2,2-tetrachloroethane 719.85
    2-methyl-cyclohexyl acetate 351.82
    tetrabutyl urea 224.32
    diisobutyl methanol 290.17
    2-phenylethanol 288.4
    styrene 158.33
    dioctyl adipate 274.88
    dimethyl sulfate 205.31
    ethyl butyrate 535.64
    methyl lactate 194.08
    butyl lactate 270.29
    diethyl carbonate 305.23
    propanediol butyl ether 356.86
    triethyl orthoformate 354.1
    p-tert-butyltoluene 202.45
    methyl 4-tert-butylbenzoate 302.99
    morpholine 1303.57
    tert-butylamine 693.54
    n-dodecanol 153.34
    dimethoxymethane 485.42
    ethylene carbonate 478.83
    cyrene 251.75
    2-ethoxyethyl acetate 373.59
    2-ethylhexyl acetate 512.92
    1,2,4-trichlorobenzene 351.58
    4-methylpyridine 539.62
    dibutyl ether 437.41
    2,6-dimethyl-4-heptanol 290.17
    DEF 443.14
    dimethyl isosorbide 632.52
    tetrachloroethylene 446.65
    eugenol 244.22
    triacetin 357.23
    span 80 365.17
    1,4-butanediol 101.8
    1,1-dichloroethane 772.15
    2-methyl-1-pentanol 213.28
    methyl formate 265.41
    2-methyl-1-butanol 426.93
    n-decane 83.19
    butyronitrile 758.7
    3,7-dimethyl-1-octanol 299.03
    1-chlorooctane 237.17
    1-chlorotetradecane 97.27
    n-nonane 86.76
    undecane 60.87
    tert-butylcyclohexane 93.54
    cyclooctane 99.07
    cyclopentanol 656.63
    tetrahydropyran 1454.83
    tert-amyl methyl ether 432.14
    2,5,8-trioxanonane 533.67
    1-hexene 281.85
    2-isopropoxyethanol 236.29
    2,2,2-trifluoroethanol 123.88
    methyl butyrate 406.04

    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
Pistacia lentiscus (Italy) 2a CO2 extract berry 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.35%