Pentyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    6553-83-9

    Molecular formula
    C12H22O2

    SMILES
    CCCCCOC(=O)C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.77%
    Green 52.05%
    Herbal 44.72%
    Apple 43.47%
    Sweet 40.95%
    Floral 38.03%
    Oily 34.48%
    Fresh 32.17%
    Pineapple 31.88%
    Jasmin 28.57%

     

    Flavor
    Fruity 81.28%
    Pineapple 48.39%
    Fruit 45.3%
    Green 41.42%
    Apple 35.68%
    Tropical 34.93%
    Berry 33.86%
    Cheese 32.45%
    Waxy 28.76%
    Fatty 26.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.59 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 114.05 ˚C est.

  • Synonyms

    • Pentyl cyclohexanecarboxylate
    • EINECS 229-478-0
    • Cyclohexanecarboxylic acid, pentyl ester
    • AI3-33531
    • DTXSID70215826
    • RefChem:171513
    • DTXCID00138317
    • 229-478-0
    • QLFARUWYJWNPLX-UHFFFAOYSA-N
    • 6553-83-9
    • Cyclohexanecarboxylic acid pentyl ester
    • Pentyl cyclohexanecarboxylate #
    • SCHEMBL2249573
    • SCHEMBL2835530
    • SCHEMBL10985807
    • NS00035886
    • 6553-83-9

  • Applications

    Pentyl cyclohexanecarboxylate is predominantly used in perfumery as a fragrance ingredient and odorant, functioning as a fixative to modulate evaporation and stabilize scent blends. It is commonly employed in cosmetics and personal care formulations (creams, lotions, shampoos, body care products) as a scented component. In household products, it serves as a fragrance additive in detergents, cleaners, and air fresheners to impart a pleasant aroma. It may also be incorporated in coatings and inks as a fragrance modifier to provide a specific odor profile during product use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4303.15
    methanol 3961.29
    isopropanol 3729.31
    water 0.21
    ethyl acetate 5689.72
    n-propanol 3683.88
    acetone 7165.58
    n-butanol 3834.36
    acetonitrile 5902.26
    DMF 5034.88
    toluene 2613.76
    isobutanol 3224.59
    1,4-dioxane 5170.49
    methyl acetate 3787.58
    THF 6050.02
    2-butanone 5282.98
    n-pentanol 2324.26
    sec-butanol 3414.14
    n-hexane 1007.87
    ethylene glycol 208.48
    NMP 3542.97
    cyclohexane 1875.53
    DMSO 3815.21
    n-butyl acetate 5268.22
    n-octanol 1264.6
    chloroform 13416.24
    n-propyl acetate 3827.74
    acetic acid 3127.04
    dichloromethane 11715.54
    cyclohexanone 8464.16
    propylene glycol 471.59
    isopropyl acetate 3612.84
    DMAc 2946.82
    2-ethoxyethanol 2011.36
    isopentanol 3605.46
    n-heptane 404.93
    ethyl formate 3149.81
    1,2-dichloroethane 8318.14
    n-hexanol 2629.15
    2-methoxyethanol 3166.49
    isobutyl acetate 2027.1
    tetrachloromethane 1757.24
    n-pentyl acetate 2828.93
    transcutol 7761.41
    n-heptanol 1137.32
    ethylbenzene 1480.08
    MIBK 2565.55
    2-propoxyethanol 2793.07
    tert-butanol 3801.72
    MTBE 4509.98
    2-butoxyethanol 1785.97
    propionic acid 2524.83
    o-xylene 1370.03
    formic acid 549.66
    diethyl ether 5218.32
    m-xylene 1435.67
    p-xylene 1971.72
    chlorobenzene 5194.58
    dimethyl carbonate 910.87
    n-octane 190.25
    formamide 1061.22
    cyclopentanone 6249.73
    2-pentanone 4940.36
    anisole 2353.07
    cyclopentyl methyl ether 3383.85
    gamma-butyrolactone 5928.49
    1-methoxy-2-propanol 2437.81
    pyridine 7701.15
    3-pentanone 3022.75
    furfural 4931.27
    n-dodecane 128.86
    diethylene glycol 1211.21
    diisopropyl ether 1425.93
    tert-amyl alcohol 3082.01
    acetylacetone 3886.88
    n-hexadecane 159.56
    acetophenone 2237.71
    methyl propionate 2876.87
    isopentyl acetate 4133.95
    trichloroethylene 13736.24
    n-nonanol 1042.59
    cyclohexanol 3807.36
    benzyl alcohol 1723.76
    2-ethylhexanol 1696.79
    isooctanol 1049.96
    dipropyl ether 2148.43
    1,2-dichlorobenzene 3903.36
    ethyl lactate 885.91
    propylene carbonate 3443.27
    n-methylformamide 2630.45
    2-pentanol 2959.93
    n-pentane 707.02
    1-propoxy-2-propanol 2376.12
    1-methoxy-2-propyl acetate 2526.07
    2-(2-methoxypropoxy) propanol 1395.54
    mesitylene 968.57
    ε-caprolactone 6193.01
    p-cymene 783.79
    epichlorohydrin 7142.15
    1,1,1-trichloroethane 7870.43
    2-aminoethanol 776.49
    morpholine-4-carbaldehyde 3313.9
    sulfolane 4770.41
    2,2,4-trimethylpentane 278.99
    2-methyltetrahydrofuran 5566.82
    n-hexyl acetate 3167.76
    isooctane 253.93
    2-(2-butoxyethoxy)ethanol 2107.95
    sec-butyl acetate 2364.89
    tert-butyl acetate 2806.73
    decalin 568.66
    glycerin 544.02
    diglyme 4048.56
    acrylic acid 1790.63
    isopropyl myristate 1049.67
    n-butyric acid 5364.21
    acetyl acetate 2820.5
    di(2-ethylhexyl) phthalate 736.59
    ethyl propionate 2795.3
    nitromethane 5217.28
    1,2-diethoxyethane 3911.62
    benzonitrile 4095.1
    trioctyl phosphate 559.59
    1-bromopropane 5568.02
    gamma-valerolactone 6368.18
    n-decanol 701.27
    triethyl phosphate 786.98
    4-methyl-2-pentanol 1430.49
    propionitrile 4879.36
    vinylene carbonate 3318.83
    1,1,2-trichlorotrifluoroethane 3451.63
    DMS 1738.05
    cumene 889.57
    2-octanol 984.18
    2-hexanone 3384.38
    octyl acetate 1270.36
    limonene 1264.56
    1,2-dimethoxyethane 4505.85
    ethyl orthosilicate 784.87
    tributyl phosphate 819.49
    diacetone alcohol 2069.03
    N,N-dimethylaniline 1343.19
    acrylonitrile 4850.4
    aniline 2776.6
    1,3-propanediol 1726.22
    bromobenzene 5813.47
    dibromomethane 8628.94
    1,1,2,2-tetrachloroethane 10764.9
    2-methyl-cyclohexyl acetate 1588.79
    tetrabutyl urea 978.87
    diisobutyl methanol 948.14
    2-phenylethanol 1710.15
    styrene 2268.29
    dioctyl adipate 1266.1
    dimethyl sulfate 1096.14
    ethyl butyrate 2774.07
    methyl lactate 882.13
    butyl lactate 1573.18
    diethyl carbonate 1636.08
    propanediol butyl ether 1403.51
    triethyl orthoformate 1517.72
    p-tert-butyltoluene 699.82
    methyl 4-tert-butylbenzoate 1419.46
    morpholine 6422.54
    tert-butylamine 2804.05
    n-dodecanol 495.6
    dimethoxymethane 2545.16
    ethylene carbonate 3078.67
    cyrene 912.41
    2-ethoxyethyl acetate 2665.43
    2-ethylhexyl acetate 3047.15
    1,2,4-trichlorobenzene 3943.3
    4-methylpyridine 7093.62
    dibutyl ether 2642.04
    2,6-dimethyl-4-heptanol 948.14
    DEF 4336.18
    dimethyl isosorbide 2049.1
    tetrachloroethylene 6532.94
    eugenol 1388.31
    triacetin 1886.95
    span 80 1427.22
    1,4-butanediol 611.14
    1,1-dichloroethane 9764.84
    2-methyl-1-pentanol 2133.76
    methyl formate 1744.73
    2-methyl-1-butanol 3100.91
    n-decane 260.95
    butyronitrile 6365.76
    3,7-dimethyl-1-octanol 1358.86
    1-chlorooctane 1227.07
    1-chlorotetradecane 390.1
    n-nonane 274.82
    undecane 172.67
    tert-butylcyclohexane 467.43
    cyclooctane 438.58
    cyclopentanol 3089.39
    tetrahydropyran 7934.89
    tert-amyl methyl ether 2571.35
    2,5,8-trioxanonane 2268.07
    1-hexene 3179.51
    2-isopropoxyethanol 1510.83
    2,2,2-trifluoroethanol 754.45
    methyl butyrate 4476.41

    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