2-tert-Butylcyclohexanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1728-46-7

    Molecular formula
    C10H18O

    SMILES
    CC(C)(C)C1CCCCC1=O

  • Odor profile

    Woody 83.41%
    Camphoreous 74.45%
    Mint 66.75%
    Herbal 53.52%
    Cedar 43.87%
    Dry 43.8%
    Pine 43.09%
    Earthy 41.26%
    Amber 37.65%
    Tobacco 37.57%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.72 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point est.
    74.31 ˚C

  • Synonyms

    • 2-tert-Butylcyclohexanone
    • 1728-46-7
    • 2-(tert-Butyl)cyclohexanone
    • 2-t-Butylcyclohexanone
    • 2-tert-butylcyclohexan-1-one
    • Cyclohexanone, 2-(1,1-dimethylethyl)-
    • TEC7LUO1VP
    • UNII-TEC7LUO1VP
    • ortho-tert-Butylcyclohexanone
    • Cyclohexanone, 2-tert-butyl-
    • DTXSID5047081
    • o-tert-butylcyclohexanone
    • EINECS 217-043-8
    • DTXCID3027081
    • 2-(1,1-dimethylethyl)cyclohexanone
    • (+/-)-2-TERT-BUTYLCYCLOHEXANONE
    • J150.046E
    • 2-(tert-butyl)cyclohexan-1-one
    • MFCD00009696
    • Cyclohexanone, (1,1-dimethylethyl)-
    • 2-tert-butyl-cyclohexanone
    • 2-tert. butyl-cyclohexanone
    • SCHEMBL873373
    • 2-tert-butyl-cyclohexan-1-one
    • CHEMBL3183402
    • 2-tert-Butylcyclohexanone, 97%
    • 2-TERT.-BUTYLCYCLOHEXANONE
    • Tox21_302281
    • AKOS000120071
    • AKOS016843424
    • NCGC00256208-01
    • 100182-82-9
    • AS-44230
    • CAS-1728-46-7
    • DB-043917
    • CS-0204461
    • NS00012035
    • EN300-20708
    • A10210
    • Q27289928
    • Z104480142
    • 217-043-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 954.47
    methanol 1226.24
    isopropanol 1155.32
    water 3.52
    ethyl acetate 1318.66
    n-propanol 1149.28
    acetone 1501.73
    n-butanol 1057.19
    acetonitrile 1733.41
    DMF 1279.39
    toluene 1154.5
    isobutanol 1081.43
    1,4-dioxane 2283.21
    methyl acetate 1297.08
    THF 3469.22
    2-butanone 1451.98
    n-pentanol 645.61
    sec-butanol 1155.12
    n-hexane 689.47
    ethylene glycol 188.68
    NMP 1667.28
    cyclohexane 972.69
    DMSO 789.71
    n-butyl acetate 1395.62
    n-octanol 854.08
    chloroform 4450.69
    n-propyl acetate 767.34
    acetic acid 1021.56
    dichloromethane 2701.13
    cyclohexanone 2599.07
    propylene glycol 326.19
    isopropyl acetate 1014.78
    DMAc 923.89
    2-ethoxyethanol 527.01
    isopentanol 1012.4
    n-heptane 451.47
    ethyl formate 778.18
    1,2-dichloroethane 1612.19
    n-hexanol 1551.53
    2-methoxyethanol 929.44
    isobutyl acetate 624.92
    tetrachloromethane 973.35
    n-pentyl acetate 836.53
    transcutol 1908.43
    n-heptanol 730.39
    ethylbenzene 657.46
    MIBK 955.36
    2-propoxyethanol 1340.11
    tert-butanol 1514.66
    MTBE 1622.32
    2-butoxyethanol 752.49
    propionic acid 1100.54
    o-xylene 745.42
    formic acid 263.43
    diethyl ether 1471.83
    m-xylene 911.59
    p-xylene 824.95
    chlorobenzene 1445.88
    dimethyl carbonate 406.33
    n-octane 187.09
    formamide 247.58
    cyclopentanone 2543.44
    2-pentanone 1314.16
    anisole 866.01
    cyclopentyl methyl ether 2005.48
    gamma-butyrolactone 2558.75
    1-methoxy-2-propanol 914.78
    pyridine 1592.86
    3-pentanone 1034.2
    furfural 1692.29
    n-dodecane 131.01
    diethylene glycol 677.43
    diisopropyl ether 688.44
    tert-amyl alcohol 1207.07
    acetylacetone 1113.59
    n-hexadecane 153.72
    acetophenone 717.04
    methyl propionate 983.17
    isopentyl acetate 1307.44
    trichloroethylene 3109.94
    n-nonanol 659.87
    cyclohexanol 1614.21
    benzyl alcohol 588.17
    2-ethylhexanol 940.21
    isooctanol 583.06
    dipropyl ether 990.5
    1,2-dichlorobenzene 1256.97
    ethyl lactate 355.81
    propylene carbonate 1512.01
    n-methylformamide 761.59
    2-pentanol 979.62
    n-pentane 562.51
    1-propoxy-2-propanol 1105.62
    1-methoxy-2-propyl acetate 1061.13
    2-(2-methoxypropoxy) propanol 611.51
    mesitylene 645.72
    ε-caprolactone 2038.21
    p-cymene 476.81
    epichlorohydrin 2200.94
    1,1,1-trichloroethane 2530.05
    2-aminoethanol 404.28
    morpholine-4-carbaldehyde 1438.84
    sulfolane 2359.72
    2,2,4-trimethylpentane 248.58
    2-methyltetrahydrofuran 2629.51
    n-hexyl acetate 1414.61
    isooctane 238.74
    2-(2-butoxyethoxy)ethanol 879.84
    sec-butyl acetate 636.71
    tert-butyl acetate 1125.43
    decalin 392.94
    glycerin 399.42
    diglyme 1380.87
    acrylic acid 859.49
    isopropyl myristate 512.79
    n-butyric acid 1384.3
    acetyl acetate 826.2
    di(2-ethylhexyl) phthalate 368.2
    ethyl propionate 705.46
    nitromethane 1332.52
    1,2-diethoxyethane 930.94
    benzonitrile 1146.99
    trioctyl phosphate 323.8
    1-bromopropane 1549.03
    gamma-valerolactone 2449.0
    n-decanol 456.92
    triethyl phosphate 342.32
    4-methyl-2-pentanol 623.58
    propionitrile 1684.46
    vinylene carbonate 1248.57
    1,1,2-trichlorotrifluoroethane 1269.63
    DMS 779.7
    cumene 473.88
    2-octanol 619.96
    2-hexanone 925.02
    octyl acetate 624.54
    limonene 769.95
    1,2-dimethoxyethane 1163.35
    ethyl orthosilicate 353.06
    tributyl phosphate 381.77
    diacetone alcohol 944.83
    N,N-dimethylaniline 540.43
    acrylonitrile 1547.93
    aniline 1015.37
    1,3-propanediol 558.95
    bromobenzene 1578.02
    dibromomethane 2109.04
    1,1,2,2-tetrachloroethane 2758.03
    2-methyl-cyclohexyl acetate 698.45
    tetrabutyl urea 449.96
    diisobutyl methanol 514.47
    2-phenylethanol 840.82
    styrene 735.12
    dioctyl adipate 545.83
    dimethyl sulfate 597.92
    ethyl butyrate 831.05
    methyl lactate 457.94
    butyl lactate 570.38
    diethyl carbonate 483.01
    propanediol butyl ether 715.88
    triethyl orthoformate 551.87
    p-tert-butyltoluene 482.63
    methyl 4-tert-butylbenzoate 746.69
    morpholine 2144.67
    tert-butylamine 1251.79
    n-dodecanol 342.99
    dimethoxymethane 875.32
    ethylene carbonate 1111.44
    cyrene 495.44
    2-ethoxyethyl acetate 761.35
    2-ethylhexyl acetate 1006.4
    1,2,4-trichlorobenzene 1365.03
    4-methylpyridine 1819.13
    dibutyl ether 956.49
    2,6-dimethyl-4-heptanol 514.47
    DEF 1085.01
    dimethyl isosorbide 1056.53
    tetrachloroethylene 1738.89
    eugenol 620.12
    triacetin 807.85
    span 80 679.15
    1,4-butanediol 243.86
    1,1-dichloroethane 2319.85
    2-methyl-1-pentanol 601.43
    methyl formate 643.15
    2-methyl-1-butanol 990.95
    n-decane 244.1
    butyronitrile 1700.43
    3,7-dimethyl-1-octanol 749.45
    1-chlorooctane 768.57
    1-chlorotetradecane 267.21
    n-nonane 272.23
    undecane 173.83
    tert-butylcyclohexane 370.77
    cyclooctane 384.35
    cyclopentanol 1571.71
    tetrahydropyran 2779.35
    tert-amyl methyl ether 1103.35
    2,5,8-trioxanonane 838.5
    1-hexene 1240.2
    2-isopropoxyethanol 491.84
    2,2,2-trifluoroethanol 396.42
    methyl butyrate 919.82

    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