Isopentyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    25183-19-1

    Molecular formula
    C12H22O2

    SMILES
    CC(C)CCOC(=O)C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.52%
    Herbal 46.88%
    Sweet 46.11%
    Apple 44.81%
    Green 38.11%
    Floral 37.8%
    Oily 32.32%
    Fresh 30.71%
    Pineapple 29.45%
    Mint 29.31%

     

    Flavor
    Fruity 78.93%
    Green 47.75%
    Pineapple 44.93%
    Fruit 43.8%
    Tropical 41.93%
    Apple 36.29%
    Berry 33.48%
    Waxy 29.62%
    Oily 26.89%
    Herbal 26.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.37 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 102.54 ˚C est.

  • Synonyms

    • Isopentyl cyclohexanecarboxylate
    • Cyclohexanecarboxylic acid, 3-methylbutyl ester
    • NX48U7GG2V
    • EINECS 246-717-4
    • AI3-33534
    • DTXSID70179853
    • RefChem:149720
    • DTXCID30102344
    • 246-717-4
    • VLALRUKXGDUQFX-UHFFFAOYSA-N
    • 25183-19-1
    • 3-methylbutyl cyclohexanecarboxylate
    • UNII-NX48U7GG2V
    • CYCLOHEXANECARBOXYLIC ACID ISOAMYL ESTER
    • SCHEMBL28993137
    • Isopentyl cyclohexanecarboxylate #
    • NS00027827
    • 25183-19-1

  • Applications

    Isopentyl cyclohexanecarboxylate (CAS 25183-19-1) is primarily used as a fragrance ingredient and odorant in perfumery, where its presence supports fragrance notes and it may act as a fixative in certain formulations. In cosmetics and personal care, it is employed as a scent component in lotions, creams, and bath products. In household products, it appears in scented cleaners, air fresheners, and cleaning products to impart lasting aroma. In industrial manufacturing, it may serve as an intermediate in the synthesis of fragrance compounds for fragrance applications. In coatings and inks, it can be incorporated as a fragrance additive or odorant to provide fragrance in scented coatings or printing formulations, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4296.38
    methanol 3768.43
    isopropanol 4079.37
    water 0.84
    ethyl acetate 3945.93
    n-propanol 3315.65
    acetone 5846.53
    n-butanol 3386.13
    acetonitrile 4125.79
    DMF 3558.56
    toluene 1335.51
    isobutanol 2847.5
    1,4-dioxane 4579.29
    methyl acetate 2785.84
    THF 5639.76
    2-butanone 3783.2
    n-pentanol 1773.17
    sec-butanol 3124.11
    n-hexane 692.87
    ethylene glycol 275.73
    NMP 2542.7
    cyclohexane 1404.16
    DMSO 2713.55
    n-butyl acetate 3463.49
    n-octanol 1105.61
    chloroform 9821.25
    n-propyl acetate 2237.44
    acetic acid 3820.53
    dichloromethane 7524.45
    cyclohexanone 5753.96
    propylene glycol 621.71
    isopropyl acetate 2581.06
    DMAc 2176.49
    2-ethoxyethanol 1543.85
    isopentanol 2928.58
    n-heptane 293.38
    ethyl formate 2297.08
    1,2-dichloroethane 4961.82
    n-hexanol 2165.55
    2-methoxyethanol 2799.54
    isobutyl acetate 1396.31
    tetrachloromethane 1263.8
    n-pentyl acetate 1779.86
    transcutol 6249.42
    n-heptanol 976.73
    ethylbenzene 861.51
    MIBK 1856.97
    2-propoxyethanol 2250.16
    tert-butanol 4162.73
    MTBE 3623.85
    2-butoxyethanol 1459.26
    propionic acid 2387.2
    o-xylene 826.85
    formic acid 725.36
    diethyl ether 3625.03
    m-xylene 898.53
    p-xylene 1300.85
    chlorobenzene 2931.85
    dimethyl carbonate 642.98
    n-octane 155.61
    formamide 1110.54
    cyclopentanone 4706.07
    2-pentanone 3412.53
    anisole 1443.83
    cyclopentyl methyl ether 2416.85
    gamma-butyrolactone 4596.64
    1-methoxy-2-propanol 2172.2
    pyridine 4631.06
    3-pentanone 2037.73
    furfural 3512.28
    n-dodecane 116.3
    diethylene glycol 1154.18
    diisopropyl ether 1105.34
    tert-amyl alcohol 3065.18
    acetylacetone 2916.94
    n-hexadecane 140.99
    acetophenone 1375.29
    methyl propionate 1970.4
    isopentyl acetate 2937.91
    trichloroethylene 9080.87
    n-nonanol 935.01
    cyclohexanol 3127.36
    benzyl alcohol 1148.98
    2-ethylhexanol 1301.37
    isooctanol 881.65
    dipropyl ether 1563.23
    1,2-dichlorobenzene 2310.67
    ethyl lactate 663.5
    propylene carbonate 2771.17
    n-methylformamide 1873.82
    2-pentanol 2538.76
    n-pentane 512.9
    1-propoxy-2-propanol 1946.87
    1-methoxy-2-propyl acetate 1909.54
    2-(2-methoxypropoxy) propanol 1200.08
    mesitylene 653.54
    ε-caprolactone 4287.74
    p-cymene 540.22
    epichlorohydrin 5013.16
    1,1,1-trichloroethane 5409.97
    2-aminoethanol 869.71
    morpholine-4-carbaldehyde 2632.24
    sulfolane 3728.01
    2,2,4-trimethylpentane 226.71
    2-methyltetrahydrofuran 4488.14
    n-hexyl acetate 2425.34
    isooctane 213.5
    2-(2-butoxyethoxy)ethanol 1791.96
    sec-butyl acetate 1524.58
    tert-butyl acetate 2142.71
    decalin 431.55
    glycerin 688.59
    diglyme 3188.01
    acrylic acid 1718.35
    isopropyl myristate 817.53
    n-butyric acid 4919.61
    acetyl acetate 2165.78
    di(2-ethylhexyl) phthalate 617.27
    ethyl propionate 1723.97
    nitromethane 4772.29
    1,2-diethoxyethane 2595.38
    benzonitrile 2474.31
    trioctyl phosphate 472.61
    1-bromopropane 3309.05
    gamma-valerolactone 5156.31
    n-decanol 651.02
    triethyl phosphate 563.37
    4-methyl-2-pentanol 1220.47
    propionitrile 3051.43
    vinylene carbonate 2455.75
    1,1,2-trichlorotrifluoroethane 2819.98
    DMS 1245.81
    cumene 610.28
    2-octanol 809.74
    2-hexanone 2197.66
    octyl acetate 1011.34
    limonene 883.41
    1,2-dimethoxyethane 3252.51
    ethyl orthosilicate 564.82
    tributyl phosphate 649.59
    diacetone alcohol 1842.24
    N,N-dimethylaniline 849.05
    acrylonitrile 2877.18
    aniline 1751.11
    1,3-propanediol 1905.18
    bromobenzene 3252.11
    dibromomethane 5377.06
    1,1,2,2-tetrachloroethane 7625.5
    2-methyl-cyclohexyl acetate 1233.83
    tetrabutyl urea 731.45
    diisobutyl methanol 781.96
    2-phenylethanol 1260.48
    styrene 1136.21
    dioctyl adipate 998.43
    dimethyl sulfate 820.76
    ethyl butyrate 1830.23
    methyl lactate 762.78
    butyl lactate 1193.7
    diethyl carbonate 1137.9
    propanediol butyl ether 1313.12
    triethyl orthoformate 1072.49
    p-tert-butyltoluene 509.26
    methyl 4-tert-butylbenzoate 1107.6
    morpholine 5020.41
    tert-butylamine 2878.93
    n-dodecanol 468.01
    dimethoxymethane 1789.83
    ethylene carbonate 2351.18
    cyrene 775.16
    2-ethoxyethyl acetate 1829.42
    2-ethylhexyl acetate 2017.85
    1,2,4-trichlorobenzene 2558.02
    4-methylpyridine 4153.58
    dibutyl ether 1810.89
    2,6-dimethyl-4-heptanol 781.96
    DEF 2767.78
    dimethyl isosorbide 1734.35
    tetrachloroethylene 4555.67
    eugenol 1043.98
    triacetin 1416.63
    span 80 1294.73
    1,4-butanediol 605.06
    1,1-dichloroethane 6448.84
    2-methyl-1-pentanol 1567.99
    methyl formate 1354.08
    2-methyl-1-butanol 2533.18
    n-decane 225.95
    butyronitrile 3997.41
    3,7-dimethyl-1-octanol 1148.96
    1-chlorooctane 925.35
    1-chlorotetradecane 321.33
    n-nonane 226.92
    undecane 155.3
    tert-butylcyclohexane 349.09
    cyclooctane 318.62
    cyclopentanol 2702.53
    tetrahydropyran 5791.56
    tert-amyl methyl ether 1872.3
    2,5,8-trioxanonane 1865.16
    1-hexene 1967.95
    2-isopropoxyethanol 1188.98
    2,2,2-trifluoroethanol 946.52
    methyl butyrate 2727.97

    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