Butyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    6553-81-7

    Molecular formula
    C11H20O2

    SMILES
    CCCCOC(=O)C1CCCCC1

  • Odor profile

    Fragrance
    Fruity 69.68%
    Green 54.94%
    Apple 45.21%
    Floral 39.83%
    Sweet 38.97%
    Herbal 37.33%
    Pineapple 34.94%
    Fresh 31.59%
    Oily 30.82%
    Waxy 30.19%

     

    Flavor
    Fruity 85.32%
    Pineapple 53.71%
    Fruit 51.62%
    Berry 38.38%
    Cheese 37.52%
    Apple 35.46%
    Tropical 30.38%
    Green 27.49%
    Wine 25.82%
    Ester 24.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.47 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 101.02 ˚C est.

  • Synonyms

    • Butyl cyclohexanecarboxylate
    • 6553-81-7
    • Cyclohexanecarboxylic acid, butyl ester
    • EINECS 229-475-4
    • Cyclohexanecarboxylic acid butyl ester
    • AI3-33528
    • DTXSID30984127
    • Butyl cyclohexanecarboxylate #
    • SCHEMBL453054
    • DTXCID401411347
    • AKOS015967536
    • NS00046964
    • 4-TRANS-BUTYL CYCLOHEXANE CARBOXYLIC ACID
    • 229-475-4

  • Applications

    Butyl cyclohexanecarboxylate (CAS 6553-81-7) is primarily used as a fragrance ingredient in perfumery and personal care, contributing fruity notes and, where appropriate, acting as a fragrance fixative to improve longevity. It is also employed in cosmetics and household products to impart fragrance in items such as shampoos, lotions, and cleaners, and may be evaluated for use in flavor formulations under proper regulatory oversight. In industrial manufacturing, the ester can serve as a fragrance component in coatings, inks, and other material formulations requiring a distinctive odor profile, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5509.97
    methanol 5104.54
    isopropanol 5013.95
    water 0.76
    ethyl acetate 4951.63
    n-propanol 4360.07
    acetone 7746.02
    n-butanol 4261.11
    acetonitrile 6092.34
    DMF 5753.02
    toluene 2074.69
    isobutanol 3755.87
    1,4-dioxane 5430.24
    methyl acetate 3599.12
    THF 6009.67
    2-butanone 4928.35
    n-pentanol 2550.27
    sec-butanol 4038.19
    n-hexane 835.05
    ethylene glycol 335.53
    NMP 3562.77
    cyclohexane 1740.52
    DMSO 3878.85
    n-butyl acetate 4642.51
    n-octanol 1566.87
    chloroform 14752.74
    n-propyl acetate 3233.42
    acetic acid 4745.66
    dichloromethane 11495.83
    cyclohexanone 7766.77
    propylene glycol 698.07
    isopropyl acetate 3149.18
    DMAc 3051.11
    2-ethoxyethanol 2081.25
    isopentanol 3756.65
    n-heptane 384.44
    ethyl formate 3465.38
    1,2-dichloroethane 7482.7
    n-hexanol 2782.51
    2-methoxyethanol 3526.54
    isobutyl acetate 1813.93
    tetrachloromethane 1797.67
    n-pentyl acetate 2686.88
    transcutol 7257.9
    n-heptanol 1310.14
    ethylbenzene 1233.12
    MIBK 2242.97
    2-propoxyethanol 2758.31
    tert-butanol 4525.18
    MTBE 4090.4
    2-butoxyethanol 1835.68
    propionic acid 3207.58
    o-xylene 1087.31
    formic acid 846.23
    diethyl ether 4368.73
    m-xylene 1146.64
    p-xylene 1722.66
    chlorobenzene 4856.22
    dimethyl carbonate 911.98
    n-octane 214.2
    formamide 1425.6
    cyclopentanone 6244.66
    2-pentanone 4397.59
    anisole 2097.45
    cyclopentyl methyl ether 2886.6
    gamma-butyrolactone 6030.87
    1-methoxy-2-propanol 2599.75
    pyridine 7886.5
    3-pentanone 2606.28
    furfural 5188.1
    n-dodecane 155.34
    diethylene glycol 1325.59
    diisopropyl ether 1184.23
    tert-amyl alcohol 3520.41
    acetylacetone 3679.62
    n-hexadecane 185.46
    acetophenone 2045.41
    methyl propionate 2671.28
    isopentyl acetate 3656.99
    trichloroethylene 13590.68
    n-nonanol 1245.34
    cyclohexanol 4061.0
    benzyl alcohol 1753.41
    2-ethylhexanol 1687.36
    isooctanol 1149.79
    dipropyl ether 1805.5
    1,2-dichlorobenzene 3511.88
    ethyl lactate 868.97
    propylene carbonate 3588.81
    n-methylformamide 3135.89
    2-pentanol 3138.04
    n-pentane 652.04
    1-propoxy-2-propanol 2285.72
    1-methoxy-2-propyl acetate 2113.54
    2-(2-methoxypropoxy) propanol 1358.28
    mesitylene 802.2
    ε-caprolactone 5853.16
    p-cymene 696.18
    epichlorohydrin 6686.97
    1,1,1-trichloroethane 7375.11
    2-aminoethanol 1054.5
    morpholine-4-carbaldehyde 3366.32
    sulfolane 4866.67
    2,2,4-trimethylpentane 253.65
    2-methyltetrahydrofuran 5061.23
    n-hexyl acetate 3214.97
    isooctane 236.9
    2-(2-butoxyethoxy)ethanol 2053.05
    sec-butyl acetate 1936.97
    tert-butyl acetate 2358.3
    decalin 497.35
    glycerin 751.03
    diglyme 3876.03
    acrylic acid 2473.71
    isopropyl myristate 1065.53
    n-butyric acid 6250.73
    acetyl acetate 2682.17
    di(2-ethylhexyl) phthalate 747.05
    ethyl propionate 2288.56
    nitromethane 6451.02
    1,2-diethoxyethane 3220.59
    benzonitrile 4270.33
    trioctyl phosphate 575.18
    1-bromopropane 4952.6
    gamma-valerolactone 6386.15
    n-decanol 833.17
    triethyl phosphate 713.9
    4-methyl-2-pentanol 1446.57
    propionitrile 4897.91
    vinylene carbonate 3548.42
    1,1,2-trichlorotrifluoroethane 3807.07
    DMS 1624.98
    cumene 798.14
    2-octanol 1121.8
    2-hexanone 3046.98
    octyl acetate 1325.23
    limonene 1110.58
    1,2-dimethoxyethane 4316.67
    ethyl orthosilicate 703.76
    tributyl phosphate 799.15
    diacetone alcohol 1972.65
    N,N-dimethylaniline 1201.92
    acrylonitrile 4991.21
    aniline 2675.73
    1,3-propanediol 2240.63
    bromobenzene 5312.47
    dibromomethane 8420.14
    1,1,2,2-tetrachloroethane 10457.78
    2-methyl-cyclohexyl acetate 1427.85
    tetrabutyl urea 970.27
    diisobutyl methanol 936.18
    2-phenylethanol 1664.84
    styrene 1944.61
    dioctyl adipate 1268.85
    dimethyl sulfate 1087.77
    ethyl butyrate 2420.34
    methyl lactate 950.43
    butyl lactate 1562.01
    diethyl carbonate 1483.06
    propanediol butyl ether 1631.37
    triethyl orthoformate 1356.75
    p-tert-butyltoluene 645.88
    methyl 4-tert-butylbenzoate 1391.96
    morpholine 6310.58
    tert-butylamine 3214.65
    n-dodecanol 595.37
    dimethoxymethane 2392.75
    ethylene carbonate 3334.77
    cyrene 897.78
    2-ethoxyethyl acetate 2406.66
    2-ethylhexyl acetate 2572.63
    1,2,4-trichlorobenzene 3617.96
    4-methylpyridine 6907.84
    dibutyl ether 2423.67
    2,6-dimethyl-4-heptanol 936.18
    DEF 3944.88
    dimethyl isosorbide 1905.52
    tetrachloroethylene 6669.66
    eugenol 1369.1
    triacetin 1830.8
    span 80 1473.53
    1,4-butanediol 769.95
    1,1-dichloroethane 9349.77
    2-methyl-1-pentanol 2163.68
    methyl formate 2162.05
    2-methyl-1-butanol 3343.05
    n-decane 301.95
    butyronitrile 6695.01
    3,7-dimethyl-1-octanol 1451.53
    1-chlorooctane 1311.51
    1-chlorotetradecane 413.62
    n-nonane 321.98
    undecane 203.56
    tert-butylcyclohexane 417.71
    cyclooctane 381.37
    cyclopentanol 3537.45
    tetrahydropyran 7477.93
    tert-amyl methyl ether 2190.62
    2,5,8-trioxanonane 2166.53
    1-hexene 2703.19
    2-isopropoxyethanol 1507.01
    2,2,2-trifluoroethanol 1068.24
    methyl butyrate 3909.04

    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