2-sec-Butyl cyclohexanone

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  • Identifiers

    CAS number
    14765-30-1

    Molecular formula
    C10H18O

    SMILES
    CCC(C)C1CCCCC1=O

  • Odor profile

    Woody 71.48%
    Herbal 66.36%
    Mint 66.34%
    Fresh 58.01%
    Camphoreous 51.75%
    Cooling 45.62%
    Spicy 45.09%
    Green 39.66%
    Pine 32.34%
    Earthy 32.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 76.00 to 78.00 °C. @ 8.00 mm Hg

    Flash point est.
    79.77 ˚C

    Solubility expt.

    • 566 mg/L @ 20 °C (exp)
    • insoluble in water; miscible with most oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-sec-Butylcyclohexanone
    • 14765-30-1
    • 2-(sec-Butyl)cyclohexanone
    • 2-(1-Methylpropyl)cyclohexanone
    • 2-sec-Butylcyclohexan-1-one
    • Cyclohexanone, 2-(1-methylpropyl)-
    • Cyclohexanone, 2-sec-butyl-
    • 2-sec-butyl cyclohexanone
    • Freskomenthe
    • FEMA No. 3261
    • 2-butan-2-ylcyclohexan-1-one
    • Butylcyclohexanone, O-sec-
    • 2-(butan-2-yl)cyclohexan-1-one
    • EINECS 238-830-2
    • 5WA6R1KL5J
    • NSC 21146
    • BRN 1859137
    • DTXSID4041818
    • NSC-21146
    • DTXCID2021818
    • 2-SEC-BUTYL CYCLOHEXANONE, DL-
    • 2-SEC-BUTYLCYCLOHEXANONE [FHFI]
    • 2-SEC-BUTYL CYCLOHEXANONE [FCC]
    • 2-SEC-BUTYL CYCLOHEXANONE, (+/-)-
    • Cyclohexanone,2-(1-methylpropyl)-
    • UNII-5WA6R1KL5J
    • frescomenthe
    • NSC21146
    • MFCD00051454
    • Cyclohexanone, 2-sec-butyl- (7CI,8CI)
    • O-Sec-Butylcyclohexanone
    • 2-sec-butyl-cyclohexanone
    • SCHEMBL87947
    • 2-(butan-2-yl)cyclohexanone
    • Cyclohexanone, sec-butyl, # 1
    • Cyclohexanone, sec-butyl, # 2
    • FEMA 3261
    • 2-(1-methylpropyl)-cyclohexanone
    • Cyclohexanone, sec.-butyl, # 2
    • Tox21_301774
    • AKOS015903988
    • Cyclohexanone, 2-sec-butyl-(7CI,8CI)
    • NCGC00255616-01
    • AS-58807
    • CAS-14765-30-1
    • B3371
    • CS-0199323
    • NS00012034
    • 2-sec-Butylcyclohexanone (mixture of isomers)
    • D89010
    • Q27262955
    • 238-830-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2229.84
    methanol 2198.41
    isopropanol 2373.06
    water 2.24
    ethyl acetate 1253.64
    n-propanol 1860.89
    acetone 1901.06
    n-butanol 1670.13
    acetonitrile 2993.11
    DMF 1685.03
    toluene 958.09
    isobutanol 1502.3
    1,4-dioxane 2559.78
    methyl acetate 1202.79
    THF 2510.8
    2-butanone 1538.8
    n-pentanol 945.18
    sec-butanol 1463.75
    n-hexane 308.3
    ethylene glycol 256.66
    NMP 1310.92
    cyclohexane 585.27
    DMSO 1378.27
    n-butyl acetate 1648.02
    n-octanol 776.17
    chloroform 6854.68
    n-propyl acetate 900.22
    acetic acid 1234.88
    dichloromethane 5187.31
    cyclohexanone 2517.91
    propylene glycol 383.36
    isopropyl acetate 808.82
    DMAc 836.72
    2-ethoxyethanol 831.15
    isopentanol 1327.66
    n-heptane 250.38
    ethyl formate 1267.21
    1,2-dichloroethane 2464.62
    n-hexanol 1508.64
    2-methoxyethanol 1386.61
    isobutyl acetate 589.69
    tetrachloromethane 1090.69
    n-pentyl acetate 865.13
    transcutol 2475.97
    n-heptanol 705.3
    ethylbenzene 523.42
    MIBK 746.22
    2-propoxyethanol 1447.16
    tert-butanol 1956.0
    MTBE 1357.14
    2-butoxyethanol 872.62
    propionic acid 1226.58
    o-xylene 554.02
    formic acid 294.48
    diethyl ether 1382.76
    m-xylene 598.87
    p-xylene 647.54
    chlorobenzene 1817.94
    dimethyl carbonate 291.2
    n-octane 119.13
    formamide 465.98
    cyclopentanone 2182.65
    2-pentanone 1208.53
    anisole 867.18
    cyclopentyl methyl ether 1147.34
    gamma-butyrolactone 2318.23
    1-methoxy-2-propanol 1051.85
    pyridine 2717.22
    3-pentanone 786.93
    furfural 1978.27
    n-dodecane 96.36
    diethylene glycol 784.83
    diisopropyl ether 426.71
    tert-amyl alcohol 1145.91
    acetylacetone 1011.55
    n-hexadecane 111.7
    acetophenone 743.59
    methyl propionate 769.82
    isopentyl acetate 1338.93
    trichloroethylene 4609.95
    n-nonanol 612.65
    cyclohexanol 1488.38
    benzyl alcohol 748.32
    2-ethylhexanol 793.79
    isooctanol 569.65
    dipropyl ether 781.6
    1,2-dichlorobenzene 1393.46
    ethyl lactate 348.64
    propylene carbonate 1497.69
    n-methylformamide 1155.42
    2-pentanol 1034.19
    n-pentane 305.85
    1-propoxy-2-propanol 1127.72
    1-methoxy-2-propyl acetate 890.26
    2-(2-methoxypropoxy) propanol 625.08
    mesitylene 434.63
    ε-caprolactone 1943.52
    p-cymene 425.13
    epichlorohydrin 2507.13
    1,1,1-trichloroethane 2773.56
    2-aminoethanol 646.02
    morpholine-4-carbaldehyde 1474.19
    sulfolane 2005.36
    2,2,4-trimethylpentane 128.59
    2-methyltetrahydrofuran 2080.78
    n-hexyl acetate 1158.95
    isooctane 136.2
    2-(2-butoxyethoxy)ethanol 909.59
    sec-butyl acetate 545.49
    tert-butyl acetate 750.74
    decalin 202.22
    glycerin 421.2
    diglyme 1594.25
    acrylic acid 926.56
    isopropyl myristate 425.68
    n-butyric acid 1860.5
    acetyl acetate 690.03
    di(2-ethylhexyl) phthalate 346.08
    ethyl propionate 633.57
    nitromethane 1758.51
    1,2-diethoxyethane 1108.93
    benzonitrile 1770.62
    trioctyl phosphate 280.64
    1-bromopropane 1897.17
    gamma-valerolactone 2448.16
    n-decanol 422.93
    triethyl phosphate 321.45
    4-methyl-2-pentanol 548.86
    propionitrile 2280.56
    vinylene carbonate 1429.06
    1,1,2-trichlorotrifluoroethane 1319.82
    DMS 582.12
    cumene 373.69
    2-octanol 533.48
    2-hexanone 990.8
    octyl acetate 531.52
    limonene 617.77
    1,2-dimethoxyethane 1557.96
    ethyl orthosilicate 320.92
    tributyl phosphate 341.23
    diacetone alcohol 756.99
    N,N-dimethylaniline 495.59
    acrylonitrile 2286.72
    aniline 1139.78
    1,3-propanediol 981.89
    bromobenzene 1973.23
    dibromomethane 3745.64
    1,1,2,2-tetrachloroethane 3296.75
    2-methyl-cyclohexyl acetate 583.08
    tetrabutyl urea 404.54
    diisobutyl methanol 462.28
    2-phenylethanol 866.27
    styrene 749.92
    dioctyl adipate 518.97
    dimethyl sulfate 416.36
    ethyl butyrate 861.54
    methyl lactate 380.9
    butyl lactate 594.26
    diethyl carbonate 531.03
    propanediol butyl ether 801.46
    triethyl orthoformate 539.7
    p-tert-butyltoluene 386.07
    methyl 4-tert-butylbenzoate 635.42
    morpholine 2657.74
    tert-butylamine 1424.54
    n-dodecanol 314.36
    dimethoxymethane 852.95
    ethylene carbonate 1244.22
    cyrene 453.86
    2-ethoxyethyl acetate 824.46
    2-ethylhexyl acetate 945.02
    1,2,4-trichlorobenzene 1442.63
    4-methylpyridine 2424.42
    dibutyl ether 825.93
    2,6-dimethyl-4-heptanol 462.28
    DEF 1042.02
    dimethyl isosorbide 967.74
    tetrachloroethylene 2229.24
    eugenol 600.71
    triacetin 701.56
    span 80 652.04
    1,4-butanediol 399.35
    1,1-dichloroethane 3346.35
    2-methyl-1-pentanol 760.82
    methyl formate 868.12
    2-methyl-1-butanol 1153.1
    n-decane 165.8
    butyronitrile 2391.29
    3,7-dimethyl-1-octanol 628.91
    1-chlorooctane 613.06
    1-chlorotetradecane 225.95
    n-nonane 177.28
    undecane 123.48
    tert-butylcyclohexane 189.97
    cyclooctane 167.99
    cyclopentanol 1451.8
    tetrahydropyran 2577.19
    tert-amyl methyl ether 708.7
    2,5,8-trioxanonane 946.08
    1-hexene 814.16
    2-isopropoxyethanol 628.05
    2,2,2-trifluoroethanol 361.92
    methyl butyrate 1015.75

    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