Propyl cyclohexaneacetate

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  • Identifiers

    CAS number
    55910-09-3

    Molecular formula
    C11H20O2

    SMILES
    CCCOC(=O)CC1CCCCC1

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 81.65%
    Sweet 58.34%
    Pineapple 54.33%
    Apple 39.33%
    Waxy 38.64%
    Peach 36.03%
    Apricot 32.56%
    Musk 31.57%
    Pear 31.08%
    Winey 30.18%

     

    Flavor
    Fruity 76.39%
    Pineapple 52.62%
    Fruit 47.62%
    Green 44.31%
    Tropical 38.44%
    Apple 35.22%
    Berry 34.01%
    Rose 30.42%
    Sweet 28.2%
    Cheese 27.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.5 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 100.74 ˚C est.

  • Synonyms

    • Propyl cyclohexaneacetate
    • EINECS 259-891-1
    • AI3-33547
    • Cyclohexaneacetic acid, propyl ester
    • RefChem:869733
    • 259-891-1
    • 55910-09-3
    • propyl cyclohexylacetate
    • propyl cyclohexyl acetate
    • SCHEMBL1439007
    • SCHEMBL1439009
    • SCHEMBL3116769
    • SCHEMBL27456435
    • DTXSID00971327
    • QZQLNUYDNNRPMA-UHFFFAOYSA-N
    • AKOS008949072
    • NS00054098
    • 55910-09-3

  • Applications

    Propyl cyclohexaneacetate (CAS 55910-09-3) is primarily used as a fragrance ingredient and odorant in perfumery, where it can act as a fixative to help preserve and soften fragrance releases. In cosmetics and personal care, it is used as a fragrance component within formulations such as lotions and shower products. In household products, it is employed in fragrance formulations for air fresheners, cleaners, and detergents. It can also function as a fragrance additive in coatings and inks to impart aromatic notes in scented finishes. Additionally, it may be encountered as an intermediate in fragrance synthesis within industrial manufacturing. All use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3266.45
    methanol 3268.95
    isopropanol 2937.55
    water 0.34
    ethyl acetate 2152.22
    n-propanol 2327.18
    acetone 3682.31
    n-butanol 2231.31
    acetonitrile 2263.62
    DMF 2960.56
    toluene 918.6
    isobutanol 1857.27
    1,4-dioxane 2923.53
    methyl acetate 1505.41
    THF 3724.3
    2-butanone 2012.28
    n-pentanol 1240.86
    sec-butanol 1854.21
    n-hexane 289.25
    ethylene glycol 277.58
    NMP 1553.67
    cyclohexane 594.39
    DMSO 2508.11
    n-butyl acetate 1865.2
    n-octanol 546.0
    chloroform 6263.35
    n-propyl acetate 1140.31
    acetic acid 2138.73
    dichloromethane 4643.52
    cyclohexanone 3196.88
    propylene glycol 540.27
    isopropyl acetate 1432.96
    DMAc 1461.97
    2-ethoxyethanol 1097.79
    isopentanol 1838.37
    n-heptane 130.44
    ethyl formate 1364.69
    1,2-dichloroethane 3065.96
    n-hexanol 1475.44
    2-methoxyethanol 2123.65
    isobutyl acetate 737.41
    tetrachloromethane 646.03
    n-pentyl acetate 862.76
    transcutol 3710.14
    n-heptanol 511.8
    ethylbenzene 470.75
    MIBK 1072.81
    2-propoxyethanol 1641.72
    tert-butanol 2749.61
    MTBE 1990.66
    2-butoxyethanol 880.53
    propionic acid 1408.65
    o-xylene 468.06
    formic acid 447.94
    diethyl ether 1999.3
    m-xylene 551.01
    p-xylene 637.87
    chlorobenzene 1662.17
    dimethyl carbonate 405.64
    n-octane 60.65
    formamide 617.56
    cyclopentanone 2734.96
    2-pentanone 1925.94
    anisole 888.15
    cyclopentyl methyl ether 1440.78
    gamma-butyrolactone 2576.62
    1-methoxy-2-propanol 1643.37
    pyridine 3092.79
    3-pentanone 1023.63
    furfural 2259.68
    n-dodecane 50.03
    diethylene glycol 995.6
    diisopropyl ether 520.18
    tert-amyl alcohol 1678.69
    acetylacetone 1839.14
    n-hexadecane 59.72
    acetophenone 779.86
    methyl propionate 1128.76
    isopentyl acetate 1523.7
    trichloroethylene 5391.44
    n-nonanol 451.84
    cyclohexanol 1819.67
    benzyl alcohol 774.95
    2-ethylhexanol 744.96
    isooctanol 435.98
    dipropyl ether 831.53
    1,2-dichlorobenzene 1276.76
    ethyl lactate 411.15
    propylene carbonate 1568.07
    n-methylformamide 1327.72
    2-pentanol 1482.18
    n-pentane 230.88
    1-propoxy-2-propanol 1278.0
    1-methoxy-2-propyl acetate 1142.75
    2-(2-methoxypropoxy) propanol 759.28
    mesitylene 360.67
    ε-caprolactone 2347.85
    p-cymene 280.52
    epichlorohydrin 3004.98
    1,1,1-trichloroethane 2759.35
    2-aminoethanol 745.67
    morpholine-4-carbaldehyde 1726.64
    sulfolane 2316.67
    2,2,4-trimethylpentane 92.43
    2-methyltetrahydrofuran 2516.45
    n-hexyl acetate 1124.47
    isooctane 87.54
    2-(2-butoxyethoxy)ethanol 1102.81
    sec-butyl acetate 786.8
    tert-butyl acetate 1190.57
    decalin 181.31
    glycerin 564.22
    diglyme 1963.37
    acrylic acid 1077.43
    isopropyl myristate 412.63
    n-butyric acid 2956.71
    acetyl acetate 1168.57
    di(2-ethylhexyl) phthalate 359.58
    ethyl propionate 857.53
    nitromethane 2535.47
    1,2-diethoxyethane 1387.27
    benzonitrile 1513.15
    trioctyl phosphate 259.74
    1-bromopropane 2024.37
    gamma-valerolactone 3061.01
    n-decanol 318.97
    triethyl phosphate 311.62
    4-methyl-2-pentanol 714.62
    propionitrile 1890.25
    vinylene carbonate 1485.46
    1,1,2-trichlorotrifluoroethane 1813.46
    DMS 686.57
    cumene 311.5
    2-octanol 380.01
    2-hexanone 1185.86
    octyl acetate 500.56
    limonene 462.45
    1,2-dimethoxyethane 2246.73
    ethyl orthosilicate 314.63
    tributyl phosphate 338.83
    diacetone alcohol 1135.07
    N,N-dimethylaniline 520.87
    acrylonitrile 1968.3
    aniline 1204.8
    1,3-propanediol 1362.09
    bromobenzene 1796.16
    dibromomethane 3310.25
    1,1,2,2-tetrachloroethane 4379.39
    2-methyl-cyclohexyl acetate 613.42
    tetrabutyl urea 400.4
    diisobutyl methanol 421.45
    2-phenylethanol 841.27
    styrene 726.88
    dioctyl adipate 553.13
    dimethyl sulfate 530.16
    ethyl butyrate 943.13
    methyl lactate 538.19
    butyl lactate 641.39
    diethyl carbonate 604.65
    propanediol butyl ether 825.67
    triethyl orthoformate 584.33
    p-tert-butyltoluene 272.87
    methyl 4-tert-butylbenzoate 635.2
    morpholine 3481.03
    tert-butylamine 1686.76
    n-dodecanol 235.63
    dimethoxymethane 1306.06
    ethylene carbonate 1370.74
    cyrene 499.12
    2-ethoxyethyl acetate 955.43
    2-ethylhexyl acetate 1027.29
    1,2,4-trichlorobenzene 1388.64
    4-methylpyridine 2595.35
    dibutyl ether 828.52
    2,6-dimethyl-4-heptanol 421.45
    DEF 1648.76
    dimethyl isosorbide 1027.72
    tetrachloroethylene 2644.07
    eugenol 640.81
    triacetin 815.35
    span 80 775.81
    1,4-butanediol 472.84
    1,1-dichloroethane 3700.47
    2-methyl-1-pentanol 985.55
    methyl formate 920.1
    2-methyl-1-butanol 1461.11
    n-decane 91.56
    butyronitrile 2510.72
    3,7-dimethyl-1-octanol 589.83
    1-chlorooctane 404.13
    1-chlorotetradecane 148.73
    n-nonane 91.11
    undecane 63.81
    tert-butylcyclohexane 150.67
    cyclooctane 137.75
    cyclopentanol 1728.55
    tetrahydropyran 3576.14
    tert-amyl methyl ether 977.69
    2,5,8-trioxanonane 1214.21
    1-hexene 1041.03
    2-isopropoxyethanol 813.18
    2,2,2-trifluoroethanol 482.11
    methyl butyrate 1398.75

    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