1-Cyclohexylethyl butyrate

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  • Identifiers

    CAS number
    63449-88-7

    Molecular formula
    C12H22O2

    SMILES
    CCCC(=O)OC(C)C1CCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.85%
    Sweet 53.96%
    Apple 51.68%
    Pineapple 49.67%
    Green 40.9%
    Waxy 37.25%
    Pear 35.64%
    Apricot 34.43%
    Tropical 34.22%
    Floral 33.42%

     

    Flavor
    Fruity 84.8%
    Pineapple 48.71%
    Fruit 48.15%
    Tropical 42.71%
    Green 41.93%
    Berry 36.94%
    Apple 35.65%
    Herbal 28.0%
    Sweet 26.91%
    Cheese 26.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.01 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 102.37 ˚C est.

  • Synonyms

    • 1-Cyclohexylethyl butyrate
    • 63449-88-7
    • 1-cyclohexylethyl butanoate
    • Butanoic acid, 1-cyclohexylethyl ester
    • UNII-U39MM4M3FM
    • U39MM4M3FM
    • EINECS 264-158-4
    • DTXSID2052316
    • 1-CYCLOHEXYLETHYL N-BUTYRATE
    • 1-cyclohexylethan-1-yl butyrate
    • cyclohexylethyl butyrate
    • VEILEX #1
    • SCHEMBL941154
    • DTXCID9030888
    • CYCLOHEXYLETHYL BUTYRATE [INCI]
    • 1alpha-Ethyl-1,4beta-dimethylcyclohexane
    • DB-312410
    • DB-322834
    • NS00012165
    • G90086
    • Q27290629
    • 264-158-4

  • Applications

    1-Cyclohexylethyl butyrate (CAS 63449-88-7) is primarily used as a fragrance ingredient and odorant in perfumery, where it may function as a fixative to extend scent; it is used as a fragrance component in cosmetics and personal care products; it is employed in household and cleaning products to impart fragrance; it may be evaluated for flavor/aroma applications as an aroma compound; and it can be used as a fragrance additive in coatings and inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7003.82
    methanol 7294.07
    isopropanol 6973.1
    water 0.54
    ethyl acetate 5196.93
    n-propanol 5516.08
    acetone 8572.07
    n-butanol 4924.44
    acetonitrile 6211.31
    DMF 4812.88
    toluene 2122.73
    isobutanol 4411.17
    1,4-dioxane 5808.25
    methyl acetate 3369.73
    THF 7567.86
    2-butanone 4759.28
    n-pentanol 2811.43
    sec-butanol 4972.9
    n-hexane 1048.69
    ethylene glycol 357.73
    NMP 3299.86
    cyclohexane 1748.76
    DMSO 4131.87
    n-butyl acetate 4438.56
    n-octanol 1230.44
    chloroform 13546.2
    n-propyl acetate 2843.76
    acetic acid 3863.32
    dichloromethane 10360.67
    cyclohexanone 7355.91
    propylene glycol 795.28
    isopropyl acetate 3296.95
    DMAc 2414.7
    2-ethoxyethanol 2050.44
    isopentanol 4263.21
    n-heptane 343.08
    ethyl formate 3072.99
    1,2-dichloroethane 6156.54
    n-hexanol 3163.58
    2-methoxyethanol 3620.94
    isobutyl acetate 1697.83
    tetrachloromethane 1735.31
    n-pentyl acetate 2229.93
    transcutol 6307.46
    n-heptanol 1113.33
    ethylbenzene 1034.69
    MIBK 2331.24
    2-propoxyethanol 3104.95
    tert-butanol 5913.51
    MTBE 5307.92
    2-butoxyethanol 1579.85
    propionic acid 2890.49
    o-xylene 1047.82
    formic acid 737.61
    diethyl ether 5615.09
    m-xylene 1177.71
    p-xylene 1434.42
    chlorobenzene 3743.46
    dimethyl carbonate 730.86
    n-octane 154.99
    formamide 1095.39
    cyclopentanone 5819.49
    2-pentanone 4472.54
    anisole 1702.97
    cyclopentyl methyl ether 3515.53
    gamma-butyrolactone 5709.57
    1-methoxy-2-propanol 2815.12
    pyridine 6272.11
    3-pentanone 2531.9
    furfural 4005.09
    n-dodecane 110.48
    diethylene glycol 1396.34
    diisopropyl ether 1439.56
    tert-amyl alcohol 4104.26
    acetylacetone 3420.67
    n-hexadecane 133.93
    acetophenone 1454.3
    methyl propionate 2486.83
    isopentyl acetate 3506.13
    trichloroethylene 10341.04
    n-nonanol 1004.69
    cyclohexanol 4492.12
    benzyl alcohol 1435.98
    2-ethylhexanol 1569.66
    isooctanol 926.99
    dipropyl ether 1955.91
    1,2-dichlorobenzene 2677.7
    ethyl lactate 715.43
    propylene carbonate 3202.3
    n-methylformamide 2627.99
    2-pentanol 3589.37
    n-pentane 758.45
    1-propoxy-2-propanol 2399.75
    1-methoxy-2-propyl acetate 2163.24
    2-(2-methoxypropoxy) propanol 1177.32
    mesitylene 755.71
    ε-caprolactone 5410.76
    p-cymene 578.13
    epichlorohydrin 6072.7
    1,1,1-trichloroethane 6166.77
    2-aminoethanol 1203.53
    morpholine-4-carbaldehyde 3013.5
    sulfolane 4611.23
    2,2,4-trimethylpentane 254.44
    2-methyltetrahydrofuran 6204.95
    n-hexyl acetate 2697.24
    isooctane 226.63
    2-(2-butoxyethoxy)ethanol 1792.25
    sec-butyl acetate 1837.6
    tert-butyl acetate 2535.48
    decalin 458.24
    glycerin 782.96
    diglyme 3221.75
    acrylic acid 1937.4
    isopropyl myristate 830.01
    n-butyric acid 5906.89
    acetyl acetate 2368.92
    di(2-ethylhexyl) phthalate 633.03
    ethyl propionate 2018.18
    nitromethane 5089.9
    1,2-diethoxyethane 2999.66
    benzonitrile 3097.03
    trioctyl phosphate 492.23
    1-bromopropane 4899.16
    gamma-valerolactone 5891.76
    n-decanol 676.33
    triethyl phosphate 570.96
    4-methyl-2-pentanol 1538.49
    propionitrile 4670.07
    vinylene carbonate 2813.72
    1,1,2-trichlorotrifluoroethane 3121.19
    DMS 1313.1
    cumene 641.94
    2-octanol 916.52
    2-hexanone 2829.92
    octyl acetate 1055.9
    limonene 1043.77
    1,2-dimethoxyethane 4483.2
    ethyl orthosilicate 583.16
    tributyl phosphate 676.86
    diacetone alcohol 2003.11
    N,N-dimethylaniline 964.62
    acrylonitrile 4097.72
    aniline 2565.58
    1,3-propanediol 2270.22
    bromobenzene 4203.69
    dibromomethane 7889.16
    1,1,2,2-tetrachloroethane 8467.04
    2-methyl-cyclohexyl acetate 1217.65
    tetrabutyl urea 754.35
    diisobutyl methanol 811.44
    2-phenylethanol 1485.13
    styrene 1559.44
    dioctyl adipate 1022.6
    dimethyl sulfate 949.91
    ethyl butyrate 2036.41
    methyl lactate 825.96
    butyl lactate 1296.4
    diethyl carbonate 1124.48
    propanediol butyl ether 1407.79
    triethyl orthoformate 1127.9
    p-tert-butyltoluene 537.44
    methyl 4-tert-butylbenzoate 1093.93
    morpholine 7046.54
    tert-butylamine 4006.12
    n-dodecanol 467.57
    dimethoxymethane 2442.13
    ethylene carbonate 2840.91
    cyrene 811.73
    2-ethoxyethyl acetate 2042.33
    2-ethylhexyl acetate 2336.07
    1,2,4-trichlorobenzene 2771.5
    4-methylpyridine 5852.74
    dibutyl ether 2030.5
    2,6-dimethyl-4-heptanol 811.44
    DEF 3733.86
    dimethyl isosorbide 1745.97
    tetrachloroethylene 5252.48
    eugenol 1046.38
    triacetin 1496.25
    span 80 1269.63
    1,4-butanediol 786.14
    1,1-dichloroethane 8546.31
    2-methyl-1-pentanol 2264.81
    methyl formate 1742.2
    2-methyl-1-butanol 3685.31
    n-decane 223.49
    butyronitrile 6184.2
    3,7-dimethyl-1-octanol 1205.9
    1-chlorooctane 1002.78
    1-chlorotetradecane 317.61
    n-nonane 234.15
    undecane 148.75
    tert-butylcyclohexane 378.14
    cyclooctane 371.21
    cyclopentanol 3967.29
    tetrahydropyran 8748.27
    tert-amyl methyl ether 2634.27
    2,5,8-trioxanonane 1854.75
    1-hexene 3169.53
    2-isopropoxyethanol 1530.9
    2,2,2-trifluoroethanol 819.65
    methyl butyrate 3365.37

    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