4-Heptylcyclohexan-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    16618-75-0

    Molecular formula
    C13H24O

    SMILES
    CCCCCCCC1CCC(=O)CC1

  • Odor profile

    Fragrance
    Floral 66.74%
    Waxy 61.4%
    Fatty 60.82%
    Fruity 57.56%
    Jasmin 55.19%
    Coconut 47.67%
    Fresh 46.22%
    Sweet 45.8%
    Peach 45.77%
    Creamy 44.53%

     

    Flavor
    Fatty 57.76%
    Fruity 55.11%
    Waxy 55.09%
    Creamy 45.83%
    Fresh 44.03%
    Coconut 43.32%
    Sweet 43.1%
    Peach 41.12%
    Oily 35.03%
    Fat 34.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.62 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point

    • 111.84 ˚C est.

  • Synonyms

    • 4-HEPTYLCYCLOHEXANONE
    • 16618-75-0
    • 4-HEPTYLCYCLOHEXAN-1-ONE
    • Cyclohexanone, 4-heptyl-
    • MFCD25978211
    • DTXSID80520711
    • SCHEMBL2853523
    • DTXCID80471517
    • QWHCPRHASHNSDA-UHFFFAOYSA-N
    • AKOS017269138
    • DA-19658
    • DS-19162
    • SY073462
    • CS-0162601
    • D83611

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2599.6
    methanol 1370.0
    isopropanol 2865.94
    water 0.01
    ethyl acetate 5581.39
    n-propanol 2362.39
    acetone 4908.32
    n-butanol 2361.0
    acetonitrile 3065.01
    DMF 1831.44
    toluene 1812.49
    isobutanol 1645.86
    1,4-dioxane 5010.22
    methyl acetate 3003.35
    THF 6330.03
    2-butanone 4558.48
    n-pentanol 1501.39
    sec-butanol 2237.83
    n-hexane 964.32
    ethylene glycol 81.66
    NMP 1184.43
    cyclohexane 1173.25
    DMSO 2370.76
    n-butyl acetate 4241.55
    n-octanol 589.51
    chloroform 7263.98
    n-propyl acetate 3330.93
    acetic acid 842.44
    dichloromethane 6578.79
    cyclohexanone 4990.24
    propylene glycol 262.58
    isopropyl acetate 3423.55
    DMAc 1438.08
    2-ethoxyethanol 1657.19
    isopentanol 2213.02
    n-heptane 411.37
    ethyl formate 1614.07
    1,2-dichloroethane 4632.65
    n-hexanol 1766.15
    2-methoxyethanol 2484.72
    isobutyl acetate 1786.86
    tetrachloromethane 1051.76
    n-pentyl acetate 1899.04
    transcutol 8230.51
    n-heptanol 620.83
    ethylbenzene 878.48
    MIBK 2253.67
    2-propoxyethanol 2526.17
    tert-butanol 3186.39
    MTBE 5018.13
    2-butoxyethanol 1229.98
    propionic acid 1055.6
    o-xylene 841.07
    formic acid 98.72
    diethyl ether 6593.8
    m-xylene 1008.13
    p-xylene 996.76
    chlorobenzene 2080.26
    dimethyl carbonate 431.56
    n-octane 127.64
    formamide 226.29
    cyclopentanone 3599.34
    2-pentanone 4671.14
    anisole 1652.58
    cyclopentyl methyl ether 3351.11
    gamma-butyrolactone 3080.6
    1-methoxy-2-propanol 2349.61
    pyridine 4151.62
    3-pentanone 2528.46
    furfural 2210.22
    n-dodecane 68.3
    diethylene glycol 825.2
    diisopropyl ether 1635.28
    tert-amyl alcohol 2181.27
    acetylacetone 3146.89
    n-hexadecane 85.67
    acetophenone 1223.08
    methyl propionate 2309.12
    isopentyl acetate 3357.35
    trichloroethylene 6266.81
    n-nonanol 536.5
    cyclohexanol 2185.23
    benzyl alcohol 933.62
    2-ethylhexanol 1242.2
    isooctanol 590.3
    dipropyl ether 2986.71
    1,2-dichlorobenzene 1686.52
    ethyl lactate 613.56
    propylene carbonate 1814.3
    n-methylformamide 799.25
    2-pentanol 1901.66
    n-pentane 527.94
    1-propoxy-2-propanol 2413.08
    1-methoxy-2-propyl acetate 2762.49
    2-(2-methoxypropoxy) propanol 1064.13
    mesitylene 640.77
    ε-caprolactone 3663.5
    p-cymene 489.8
    epichlorohydrin 4612.8
    1,1,1-trichloroethane 4473.33
    2-aminoethanol 393.28
    morpholine-4-carbaldehyde 2147.98
    sulfolane 2500.95
    2,2,4-trimethylpentane 184.87
    2-methyltetrahydrofuran 5517.31
    n-hexyl acetate 2084.79
    isooctane 185.9
    2-(2-butoxyethoxy)ethanol 1699.88
    sec-butyl acetate 2230.99
    tert-butyl acetate 3033.06
    decalin 364.97
    glycerin 289.22
    diglyme 3444.68
    acrylic acid 545.73
    isopropyl myristate 725.06
    n-butyric acid 2894.89
    acetyl acetate 1933.06
    di(2-ethylhexyl) phthalate 430.63
    ethyl propionate 2481.57
    nitromethane 1884.96
    1,2-diethoxyethane 4978.52
    benzonitrile 1695.23
    trioctyl phosphate 313.86
    1-bromopropane 4290.25
    gamma-valerolactone 4263.26
    n-decanol 378.37
    triethyl phosphate 633.55
    4-methyl-2-pentanol 980.13
    propionitrile 3066.64
    vinylene carbonate 1377.35
    1,1,2-trichlorotrifluoroethane 1849.81
    DMS 1094.58
    cumene 527.24
    2-octanol 473.28
    2-hexanone 2904.01
    octyl acetate 757.99
    limonene 922.04
    1,2-dimethoxyethane 4293.63
    ethyl orthosilicate 684.75
    tributyl phosphate 503.12
    diacetone alcohol 1924.85
    N,N-dimethylaniline 786.78
    acrylonitrile 2327.31
    aniline 1603.97
    1,3-propanediol 942.07
    bromobenzene 2438.12
    dibromomethane 5183.29
    1,1,2,2-tetrachloroethane 5196.85
    2-methyl-cyclohexyl acetate 1221.04
    tetrabutyl urea 549.44
    diisobutyl methanol 740.92
    2-phenylethanol 1028.5
    styrene 1285.76
    dioctyl adipate 895.65
    dimethyl sulfate 522.0
    ethyl butyrate 2654.7
    methyl lactate 531.43
    butyl lactate 983.02
    diethyl carbonate 1294.51
    propanediol butyl ether 815.08
    triethyl orthoformate 1465.61
    p-tert-butyltoluene 484.95
    methyl 4-tert-butylbenzoate 841.37
    morpholine 6335.2
    tert-butylamine 2295.53
    n-dodecanol 282.8
    dimethoxymethane 2040.42
    ethylene carbonate 1519.94
    cyrene 590.45
    2-ethoxyethyl acetate 2281.87
    2-ethylhexyl acetate 2355.77
    1,2,4-trichlorobenzene 1770.33
    4-methylpyridine 3842.79
    dibutyl ether 2350.49
    2,6-dimethyl-4-heptanol 740.92
    DEF 3009.35
    dimethyl isosorbide 1624.68
    tetrachloroethylene 2921.61
    eugenol 719.28
    triacetin 1342.09
    span 80 920.44
    1,4-butanediol 275.51
    1,1-dichloroethane 5635.34
    2-methyl-1-pentanol 1324.43
    methyl formate 480.52
    2-methyl-1-butanol 1774.97
    n-decane 152.12
    butyronitrile 3625.54
    3,7-dimethyl-1-octanol 836.18
    1-chlorooctane 668.48
    1-chlorotetradecane 214.22
    n-nonane 161.75
    undecane 96.82
    tert-butylcyclohexane 316.57
    cyclooctane 329.06
    cyclopentanol 1669.01
    tetrahydropyran 7614.31
    tert-amyl methyl ether 2536.17
    2,5,8-trioxanonane 1828.34
    1-hexene 2939.26
    2-isopropoxyethanol 1373.32
    2,2,2-trifluoroethanol 186.16
    methyl butyrate 3332.13

    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