Cyclohexyl butyrate

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  • Identifiers

    CAS number
    1551-44-6

    Molecular formula
    C10H18O2

    SMILES
    CCCC(=O)OC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 95.51%
    Sweet 73.23%
    Pineapple 63.38%
    Apple 63.04%
    Banana 52.93%
    Green 42.94%
    Apricot 40.11%
    Floral 39.9%
    Waxy 37.02%
    Tropical 36.72%

     

    Flavor
    Fruity 86.81%
    Pineapple 66.87%
    Fruit 53.93%
    Apple 42.99%
    Berry 42.21%
    Tropical 38.58%
    Sweet 36.09%
    Cheese 34.96%
    Grape 30.37%
    Peach 28.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.93 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 212.00 °C. @ 760.00 mm Hg

    Flash point

    • 89.08 ˚C est.

    Solubility expt.

    • slightly
    • almost insoluble in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Cyclohexyl butyrate
    • Cyclohexyl butanoate
    • 1551-44-6
    • Butanoic acid, cyclohexyl ester
    • Cyclohexanyl butyrate
    • Butyric acid, cyclohexyl ester
    • Cyclohexyl n-butyrate
    • FEMA No. 2351
    • Cyclohexanol butanoate
    • Butyric Acid Cyclohexyl Ester
    • CCRIS 6553
    • n-Butyric acid cyclohexyl ester
    • EINECS 216-290-9
    • UNII-FHH53Z3I16
    • NSC 53950
    • BRN 2083414
    • FHH53Z3I16
    • AI3-06059
    • NSC-53950
    • DTXSID8061769
    • VZHUBBUZNIULNM-UHFFFAOYSA-
    • CYCLOHEXYL BUTYRATE [FHFI]
    • 4-06-00-00037 (Beilstein Handbook Reference)
    • BUTANOIC ACID CYCLOHEXYL ESTER
    • Cyclohexylbutyrate
    • MFCD00046354
    • CYCLOHEXYL-N-BUTYRATE
    • SCHEMBL397795
    • DTXCID4034994
    • FEMA 2351
    • CHEBI:180203
    • Cyclohexyl butyrate, >=98%, FG
    • NSC53950
    • LMFA07010824
    • AKOS005207196
    • AS-60720
    • DB-043258
    • B0758
    • CS-0187347
    • NS00012158
    • D88681
    • Q27277990
    • 216-290-9

  • Applications

    Characterized by a smooth fruity odour with subtle buttery notes, Cyclohexyl butyrate (CAS 1551-44-6) finds broad use as a fragrance modifier in fine perfumes, soaps, deodorants, scented candles and household cleaners, as a flavour additive in foods and beverages where it recreates pineapple, ripe pear and tropical fruit nuances, as a solvent, emollient and carrier in cosmetic emulsions that helps control active-ingredient release rates, as a plasticizer in polymer and rubber processing, a formulating solvent for printing inks and a gloss-enhancing paint additive, while also serving as an intermediate in organic synthesis, a calibration standard for GC-MS instruments and a model compound in biodegradation and environmental safety studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2970.46
    methanol 2942.81
    isopropanol 2968.32
    water 0.82
    ethyl acetate 1931.41
    n-propanol 2448.78
    acetone 3478.49
    n-butanol 2361.42
    acetonitrile 2451.1
    DMF 3016.5
    toluene 1075.97
    isobutanol 2085.99
    1,4-dioxane 2669.35
    methyl acetate 1514.66
    THF 3858.08
    2-butanone 2083.02
    n-pentanol 1564.23
    sec-butanol 2290.84
    n-hexane 634.54
    ethylene glycol 279.67
    NMP 2253.63
    cyclohexane 980.57
    DMSO 2583.21
    n-butyl acetate 2177.4
    n-octanol 1063.53
    chloroform 9068.32
    n-propyl acetate 1339.1
    acetic acid 2727.54
    dichloromethane 6352.23
    cyclohexanone 3825.19
    propylene glycol 600.87
    isopropyl acetate 1276.56
    DMAc 1674.76
    2-ethoxyethanol 1093.27
    isopentanol 2010.59
    n-heptane 302.41
    ethyl formate 1518.36
    1,2-dichloroethane 3322.73
    n-hexanol 1857.67
    2-methoxyethanol 1921.27
    isobutyl acetate 872.63
    tetrachloromethane 1004.93
    n-pentyl acetate 1249.02
    transcutol 3619.12
    n-heptanol 797.15
    ethylbenzene 676.9
    MIBK 1122.99
    2-propoxyethanol 1657.65
    tert-butanol 2742.66
    MTBE 1892.49
    2-butoxyethanol 1049.8
    propionic acid 1919.54
    o-xylene 624.4
    formic acid 518.12
    diethyl ether 1767.41
    m-xylene 642.17
    p-xylene 947.36
    chlorobenzene 2319.59
    dimethyl carbonate 491.19
    n-octane 146.92
    formamide 701.59
    cyclopentanone 3447.39
    2-pentanone 1923.83
    anisole 1113.75
    cyclopentyl methyl ether 1700.37
    gamma-butyrolactone 3510.52
    1-methoxy-2-propanol 1543.71
    pyridine 3640.99
    3-pentanone 1166.61
    furfural 2887.07
    n-dodecane 116.33
    diethylene glycol 908.77
    diisopropyl ether 587.81
    tert-amyl alcohol 1979.77
    acetylacetone 1733.4
    n-hexadecane 136.35
    acetophenone 1059.24
    methyl propionate 1195.63
    isopentyl acetate 1767.65
    trichloroethylene 6527.77
    n-nonanol 848.25
    cyclohexanol 2360.58
    benzyl alcohol 1009.15
    2-ethylhexanol 1037.68
    isooctanol 661.04
    dipropyl ether 1048.65
    1,2-dichlorobenzene 1786.73
    ethyl lactate 517.23
    propylene carbonate 2122.36
    n-methylformamide 1565.94
    2-pentanol 1734.73
    n-pentane 453.29
    1-propoxy-2-propanol 1465.69
    1-methoxy-2-propyl acetate 1173.14
    2-(2-methoxypropoxy) propanol 905.9
    mesitylene 456.12
    ε-caprolactone 2852.99
    p-cymene 426.9
    epichlorohydrin 3331.9
    1,1,1-trichloroethane 3428.23
    2-aminoethanol 766.65
    morpholine-4-carbaldehyde 1912.8
    sulfolane 3351.23
    2,2,4-trimethylpentane 174.64
    2-methyltetrahydrofuran 2869.73
    n-hexyl acetate 1820.7
    isooctane 156.85
    2-(2-butoxyethoxy)ethanol 1296.85
    sec-butyl acetate 868.91
    tert-butyl acetate 1143.97
    decalin 320.07
    glycerin 620.68
    diglyme 2112.39
    acrylic acid 1534.63
    isopropyl myristate 663.25
    n-butyric acid 3253.82
    acetyl acetate 1214.16
    di(2-ethylhexyl) phthalate 521.75
    ethyl propionate 998.66
    nitromethane 3017.34
    1,2-diethoxyethane 1395.15
    benzonitrile 2136.55
    trioctyl phosphate 406.61
    1-bromopropane 2519.56
    gamma-valerolactone 3328.43
    n-decanol 588.14
    triethyl phosphate 455.75
    4-methyl-2-pentanol 836.77
    propionitrile 2249.68
    vinylene carbonate 2018.02
    1,1,2-trichlorotrifluoroethane 2242.27
    DMS 923.36
    cumene 464.99
    2-octanol 692.97
    2-hexanone 1450.55
    octyl acetate 831.0
    limonene 693.68
    1,2-dimethoxyethane 2197.45
    ethyl orthosilicate 438.27
    tributyl phosphate 540.22
    diacetone alcohol 1136.0
    N,N-dimethylaniline 720.72
    acrylonitrile 2344.38
    aniline 1431.22
    1,3-propanediol 1351.02
    bromobenzene 2673.97
    dibromomethane 4662.37
    1,1,2,2-tetrachloroethane 5377.1
    2-methyl-cyclohexyl acetate 844.91
    tetrabutyl urea 646.24
    diisobutyl methanol 592.49
    2-phenylethanol 1000.19
    styrene 1028.39
    dioctyl adipate 868.19
    dimethyl sulfate 704.58
    ethyl butyrate 1176.7
    methyl lactate 613.04
    butyl lactate 921.21
    diethyl carbonate 789.49
    propanediol butyl ether 1123.02
    triethyl orthoformate 756.8
    p-tert-butyltoluene 404.71
    methyl 4-tert-butylbenzoate 890.64
    morpholine 3116.44
    tert-butylamine 1941.85
    n-dodecanol 429.59
    dimethoxymethane 1291.79
    ethylene carbonate 1813.7
    cyrene 648.81
    2-ethoxyethyl acetate 1115.92
    2-ethylhexyl acetate 1262.12
    1,2,4-trichlorobenzene 1869.58
    4-methylpyridine 3206.64
    dibutyl ether 1316.21
    2,6-dimethyl-4-heptanol 592.49
    DEF 1847.45
    dimethyl isosorbide 1269.76
    tetrachloroethylene 3358.95
    eugenol 880.07
    triacetin 1131.12
    span 80 1037.23
    1,4-butanediol 553.23
    1,1-dichloroethane 4298.23
    2-methyl-1-pentanol 1287.04
    methyl formate 1115.08
    2-methyl-1-butanol 1774.93
    n-decane 220.86
    butyronitrile 2967.82
    3,7-dimethyl-1-octanol 969.14
    1-chlorooctane 812.89
    1-chlorotetradecane 292.28
    n-nonane 233.31
    undecane 151.82
    tert-butylcyclohexane 281.12
    cyclooctane 237.75
    cyclopentanol 2338.77
    tetrahydropyran 3538.09
    tert-amyl methyl ether 1112.26
    2,5,8-trioxanonane 1419.09
    1-hexene 1669.52
    2-isopropoxyethanol 834.07
    2,2,2-trifluoroethanol 626.56
    methyl butyrate 1697.93

    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