Propyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    6739-34-0

    Molecular formula
    C10H18O2

    SMILES
    CCCOC(=O)C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.38%
    Sweet 50.28%
    Apple 44.06%
    Floral 43.01%
    Green 40.28%
    Pineapple 39.62%
    Herbal 30.35%
    Fresh 28.66%
    Waxy 27.3%
    Winey 27.27%

     

    Flavor
    Fruity 87.52%
    Pineapple 56.68%
    Fruit 54.61%
    Berry 43.29%
    Cheese 37.64%
    Apple 34.55%
    Tropical 28.41%
    Ester 25.36%
    Grape 24.13%
    Wine 23.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.77 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 90.07 ˚C est.

  • Synonyms

    • Propyl cyclohexanecarboxylate
    • Cyclohexanecarboxylic acid, propyl ester
    • EINECS 229-798-0
    • AI3-19657
    • DTXSID80217750
    • RefChem:176487
    • DTXCID30140241
    • 229-798-0
    • UBEVLTHYAFYOEU-UHFFFAOYSA-N
    • 6739-34-0
    • Cyclohexanecarboxylic acid propyl ester
    • 3GRE7MD5CB
    • SCHEMBL42565
    • SCHEMBL148327
    • SCHEMBL148328
    • Propyl cyclohexanecarboxylate #
    • SCHEMBL4787371
    • SCHEMBL11154948
    • AKOS008947944
    • Cyclohexanecarboxylic acid,propyl ester
    • cyclohexanecarboxylic acid n-propyl ester
    • NS00036122
    • 6739-34-0

  • Applications

    Propyl cyclohexanecarboxylate (CAS 6739-34-0) is primarily used in perfumery as a fragrance ingredient and fixative, providing a persistent, mildly fruity note; it is also used in cosmetics and personal care formulations as a scent component. In household products, it serves as an odorant to impart or stabilize fragrances in cleaners and air fresheners. In industrial manufacturing, it is often evaluated as an intermediate in fragrance synthesis and related chemical processes, and it may function as a solvent or processing aid in formulation stages. Additionally, due to its ester structure, it can be included as a fragrance additive in coatings, inks, and adhesives to deliver a specific aroma profile. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2732.76
    methanol 2585.37
    isopropanol 2691.58
    water 0.96
    ethyl acetate 2055.49
    n-propanol 2316.05
    acetone 3035.16
    n-butanol 2314.63
    acetonitrile 2622.97
    DMF 3237.13
    toluene 1238.32
    isobutanol 2104.23
    1,4-dioxane 2783.46
    methyl acetate 1793.99
    THF 2982.02
    2-butanone 2358.36
    n-pentanol 1642.73
    sec-butanol 2374.46
    n-hexane 477.36
    ethylene glycol 243.51
    NMP 2129.73
    cyclohexane 817.24
    DMSO 1938.51
    n-butyl acetate 2487.15
    n-octanol 1158.9
    chloroform 9640.97
    n-propyl acetate 1635.49
    acetic acid 2448.44
    dichloromethane 6963.38
    cyclohexanone 3915.86
    propylene glycol 478.04
    isopropyl acetate 1412.18
    DMAc 1820.77
    2-ethoxyethanol 1315.05
    isopentanol 2112.59
    n-heptane 243.65
    ethyl formate 1963.5
    1,2-dichloroethane 4015.62
    n-hexanol 1834.11
    2-methoxyethanol 1996.73
    isobutyl acetate 1038.28
    tetrachloromethane 1224.44
    n-pentyl acetate 1576.88
    transcutol 3843.95
    n-heptanol 992.07
    ethylbenzene 803.5
    MIBK 1193.64
    2-propoxyethanol 1750.14
    tert-butanol 2497.81
    MTBE 1976.03
    2-butoxyethanol 1325.68
    propionic acid 1881.71
    o-xylene 729.35
    formic acid 506.74
    diethyl ether 1757.75
    m-xylene 748.88
    p-xylene 1118.37
    chlorobenzene 2858.54
    dimethyl carbonate 541.35
    n-octane 153.26
    formamide 748.44
    cyclopentanone 3291.18
    2-pentanone 1997.86
    anisole 1381.43
    cyclopentyl methyl ether 1546.58
    gamma-butyrolactone 3361.22
    1-methoxy-2-propanol 1531.31
    pyridine 4318.86
    3-pentanone 1245.21
    furfural 3363.88
    n-dodecane 122.43
    diethylene glycol 902.77
    diisopropyl ether 578.07
    tert-amyl alcohol 2079.53
    acetylacetone 1708.89
    n-hexadecane 141.87
    acetophenone 1372.57
    methyl propionate 1324.79
    isopentyl acetate 2134.8
    trichloroethylene 7949.2
    n-nonanol 915.95
    cyclohexanol 2322.29
    benzyl alcohol 1241.16
    2-ethylhexanol 1133.08
    isooctanol 845.95
    dipropyl ether 976.99
    1,2-dichlorobenzene 2279.81
    ethyl lactate 583.27
    propylene carbonate 2261.08
    n-methylformamide 1812.67
    2-pentanol 1738.85
    n-pentane 359.14
    1-propoxy-2-propanol 1501.66
    1-methoxy-2-propyl acetate 1236.12
    2-(2-methoxypropoxy) propanol 927.82
    mesitylene 518.53
    ε-caprolactone 3108.66
    p-cymene 506.91
    epichlorohydrin 3789.06
    1,1,1-trichloroethane 4114.92
    2-aminoethanol 705.21
    morpholine-4-carbaldehyde 2020.94
    sulfolane 2909.36
    2,2,4-trimethylpentane 170.54
    2-methyltetrahydrofuran 2587.4
    n-hexyl acetate 2028.09
    isooctane 154.6
    2-(2-butoxyethoxy)ethanol 1354.14
    sec-butyl acetate 1020.52
    tert-butyl acetate 1194.52
    decalin 315.83
    glycerin 528.01
    diglyme 2448.15
    acrylic acid 1506.53
    isopropyl myristate 700.28
    n-butyric acid 3151.2
    acetyl acetate 1267.68
    di(2-ethylhexyl) phthalate 538.45
    ethyl propionate 1182.64
    nitromethane 3056.69
    1,2-diethoxyethane 1585.72
    benzonitrile 2751.09
    trioctyl phosphate 432.08
    1-bromopropane 2707.51
    gamma-valerolactone 3531.71
    n-decanol 620.34
    triethyl phosphate 497.65
    4-methyl-2-pentanol 898.94
    propionitrile 2595.19
    vinylene carbonate 2284.18
    1,1,2-trichlorotrifluoroethane 2437.52
    DMS 987.75
    cumene 551.05
    2-octanol 853.99
    2-hexanone 1676.6
    octyl acetate 878.69
    limonene 720.69
    1,2-dimethoxyethane 2497.62
    ethyl orthosilicate 485.61
    tributyl phosphate 552.37
    diacetone alcohol 1147.04
    N,N-dimethylaniline 835.76
    acrylonitrile 2828.68
    aniline 1571.57
    1,3-propanediol 1337.35
    bromobenzene 3154.39
    dibromomethane 5154.35
    1,1,2,2-tetrachloroethane 6410.73
    2-methyl-cyclohexyl acetate 923.67
    tetrabutyl urea 675.66
    diisobutyl methanol 645.74
    2-phenylethanol 1195.15
    styrene 1211.5
    dioctyl adipate 868.8
    dimethyl sulfate 682.31
    ethyl butyrate 1361.78
    methyl lactate 617.81
    butyl lactate 1060.61
    diethyl carbonate 953.2
    propanediol butyl ether 1199.2
    triethyl orthoformate 880.95
    p-tert-butyltoluene 477.57
    methyl 4-tert-butylbenzoate 1011.81
    morpholine 3293.19
    tert-butylamine 1748.09
    n-dodecanol 450.58
    dimethoxymethane 1254.78
    ethylene carbonate 2026.53
    cyrene 674.96
    2-ethoxyethyl acetate 1367.52
    2-ethylhexyl acetate 1514.42
    1,2,4-trichlorobenzene 2320.57
    4-methylpyridine 3929.47
    dibutyl ether 1398.73
    2,6-dimethyl-4-heptanol 645.74
    DEF 2043.68
    dimethyl isosorbide 1279.45
    tetrachloroethylene 4056.15
    eugenol 1017.49
    triacetin 1157.23
    span 80 1017.97
    1,4-butanediol 569.63
    1,1-dichloroethane 4960.44
    2-methyl-1-pentanol 1483.06
    methyl formate 1311.18
    2-methyl-1-butanol 1918.14
    n-decane 223.81
    butyronitrile 3433.54
    3,7-dimethyl-1-octanol 1058.3
    1-chlorooctane 890.23
    1-chlorotetradecane 312.24
    n-nonane 236.02
    undecane 157.01
    tert-butylcyclohexane 280.96
    cyclooctane 216.01
    cyclopentanol 2121.04
    tetrahydropyran 3560.46
    tert-amyl methyl ether 1205.76
    2,5,8-trioxanonane 1425.8
    1-hexene 1453.1
    2-isopropoxyethanol 973.19
    2,2,2-trifluoroethanol 636.87
    methyl butyrate 2023.6

    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