Cyclohexyl heptanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5454-26-2

    Molecular formula
    C13H24O2

    SMILES
    CCCCCCC(=O)OC1CCCCC1

  • Odor profile

    Fruity 90.8%
    Sweet 47.75%
    Green 46.44%
    Oily 46.16%
    Pineapple 45.69%
    Winey 45.64%
    Peach 39.3%
    Waxy 38.79%
    Apple 38.73%
    Fatty 37.75%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point est.
    119.8 ˚C

  • Synonyms

    • cyclohexyl heptanoate
    • 5454-26-2
    • NSC23055
    • SCHEMBL196056
    • heptanoic acid cyclohexyl ester
    • DTXSID80969767
    • WRFAGNPJDOSOAP-UHFFFAOYSA-N
    • NSC-23055

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4305.05
    methanol 3957.16
    isopropanol 4068.61
    water 0.11
    ethyl acetate 6142.33
    n-propanol 3686.0
    acetone 9242.75
    n-butanol 3618.73
    acetonitrile 5245.45
    DMF 6151.64
    toluene 2764.4
    isobutanol 3218.6
    1,4-dioxane 4953.32
    methyl acetate 3975.05
    THF 7628.81
    2-butanone 5966.45
    n-pentanol 2121.79
    sec-butanol 3528.41
    n-hexane 1239.46
    ethylene glycol 245.61
    NMP 4572.87
    cyclohexane 1885.29
    DMSO 6307.6
    n-butyl acetate 5193.84
    n-octanol 1138.74
    chloroform 12756.74
    n-propyl acetate 3894.72
    acetic acid 2929.56
    dichloromethane 11813.83
    cyclohexanone 9343.62
    propylene glycol 569.46
    isopropyl acetate 4028.91
    DMAc 3585.3
    2-ethoxyethanol 1925.33
    isopentanol 3456.86
    n-heptane 446.55
    ethyl formate 2858.13
    1,2-dichloroethane 8232.6
    n-hexanol 2391.29
    2-methoxyethanol 3199.16
    isobutyl acetate 2211.0
    tetrachloromethane 1772.86
    n-pentyl acetate 2861.17
    transcutol 7924.98
    n-heptanol 1007.12
    ethylbenzene 1424.84
    MIBK 3062.84
    2-propoxyethanol 2769.72
    tert-butanol 4172.29
    MTBE 5026.76
    2-butoxyethanol 1720.56
    propionic acid 2670.23
    o-xylene 1432.97
    formic acid 489.38
    diethyl ether 5600.3
    m-xylene 1515.78
    p-xylene 1956.82
    chlorobenzene 4438.56
    dimethyl carbonate 1020.59
    n-octane 179.07
    formamide 991.29
    cyclopentanone 7660.74
    2-pentanone 5848.47
    anisole 2285.19
    cyclopentyl methyl ether 4397.64
    gamma-butyrolactone 6894.88
    1-methoxy-2-propanol 2631.79
    pyridine 7229.54
    3-pentanone 3567.58
    furfural 4946.88
    n-dodecane 119.64
    diethylene glycol 1284.41
    diisopropyl ether 1649.88
    tert-amyl alcohol 3381.74
    acetylacetone 4722.73
    n-hexadecane 147.06
    acetophenone 2170.48
    methyl propionate 3310.8
    isopentyl acetate 4140.63
    trichloroethylene 12888.1
    n-nonanol 948.63
    cyclohexanol 4002.21
    benzyl alcohol 1600.41
    2-ethylhexanol 1614.42
    isooctanol 888.07
    dipropyl ether 2374.8
    1,2-dichlorobenzene 3540.42
    ethyl lactate 950.23
    propylene carbonate 3845.46
    n-methylformamide 2662.58
    2-pentanol 2918.1
    n-pentane 774.96
    1-propoxy-2-propanol 2540.83
    1-methoxy-2-propyl acetate 2787.19
    2-(2-methoxypropoxy) propanol 1494.92
    mesitylene 995.9
    ε-caprolactone 6402.95
    p-cymene 746.49
    epichlorohydrin 7284.98
    1,1,1-trichloroethane 7672.93
    2-aminoethanol 861.02
    morpholine-4-carbaldehyde 3719.22
    sulfolane 6742.48
    2,2,4-trimethylpentane 291.11
    2-methyltetrahydrofuran 6655.36
    n-hexyl acetate 3397.78
    isooctane 246.05
    2-(2-butoxyethoxy)ethanol 2228.97
    sec-butyl acetate 2583.61
    tert-butyl acetate 3310.52
    decalin 604.73
    glycerin 626.84
    diglyme 4048.96
    acrylic acid 1788.94
    isopropyl myristate 1071.24
    n-butyric acid 5287.84
    acetyl acetate 2892.78
    di(2-ethylhexyl) phthalate 812.82
    ethyl propionate 3045.08
    nitromethane 5423.03
    1,2-diethoxyethane 3801.66
    benzonitrile 3380.68
    trioctyl phosphate 600.94
    1-bromopropane 5760.12
    gamma-valerolactone 7341.37
    n-decanol 628.53
    triethyl phosphate 852.74
    4-methyl-2-pentanol 1447.12
    propionitrile 4197.65
    vinylene carbonate 3295.68
    1,1,2-trichlorotrifluoroethane 3651.7
    DMS 1965.48
    cumene 863.52
    2-octanol 866.52
    2-hexanone 3695.42
    octyl acetate 1296.32
    limonene 1358.21
    1,2-dimethoxyethane 4618.3
    ethyl orthosilicate 824.85
    tributyl phosphate 891.5
    diacetone alcohol 2507.17
    N,N-dimethylaniline 1346.63
    acrylonitrile 4224.23
    aniline 2841.63
    1,3-propanediol 1660.27
    bromobenzene 5319.31
    dibromomethane 8763.74
    1,1,2,2-tetrachloroethane 10417.23
    2-methyl-cyclohexyl acetate 1709.73
    tetrabutyl urea 1055.33
    diisobutyl methanol 922.11
    2-phenylethanol 1602.26
    styrene 2167.33
    dioctyl adipate 1432.93
    dimethyl sulfate 1465.28
    ethyl butyrate 2846.88
    methyl lactate 1043.41
    butyl lactate 1673.89
    diethyl carbonate 1552.62
    propanediol butyl ether 1488.93
    triethyl orthoformate 1546.77
    p-tert-butyltoluene 681.81
    methyl 4-tert-butylbenzoate 1518.96
    morpholine 6539.69
    tert-butylamine 2846.32
    n-dodecanol 468.29
    dimethoxymethane 3035.02
    ethylene carbonate 3189.43
    cyrene 1017.56
    2-ethoxyethyl acetate 2752.38
    2-ethylhexyl acetate 3063.43
    1,2,4-trichlorobenzene 3820.68
    4-methylpyridine 6871.75
    dibutyl ether 2764.41
    2,6-dimethyl-4-heptanol 922.11
    DEF 5047.17
    dimethyl isosorbide 2247.1
    tetrachloroethylene 6127.46
    eugenol 1375.56
    triacetin 2179.91
    span 80 1564.87
    1,4-butanediol 617.73
    1,1-dichloroethane 9297.2
    2-methyl-1-pentanol 1967.86
    methyl formate 1771.43
    2-methyl-1-butanol 2948.76
    n-decane 241.31
    butyronitrile 5297.25
    3,7-dimethyl-1-octanol 1295.55
    1-chlorooctane 1171.13
    1-chlorotetradecane 367.09
    n-nonane 253.91
    undecane 161.94
    tert-butylcyclohexane 474.26
    cyclooctane 442.2
    cyclopentanol 3625.19
    tetrahydropyran 8422.17
    tert-amyl methyl ether 2939.01
    2,5,8-trioxanonane 2381.92
    1-hexene 3606.35
    2-isopropoxyethanol 1580.89
    2,2,2-trifluoroethanol 746.39
    methyl butyrate 4773.37

    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