Pentanoic acid, cyclohexyl ester

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  • Identifiers

    CAS number
    1551-43-5

    Molecular formula
    C11H20O2

    SMILES
    CCCCC(=O)OC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 93.52%
    Apple 53.77%
    Pineapple 50.2%
    Sweet 48.75%
    Herbal 39.24%
    Winey 33.55%
    Banana 33.42%
    Apricot 31.17%
    Oily 29.56%
    Berry 27.84%

     

    Flavor
    Fruity 75.33%
    Pineapple 54.87%
    Fruit 43.37%
    Tropical 39.24%
    Berry 34.18%
    Cheese 33.22%
    Sweet 32.01%
    Apple 31.28%
    Green 30.17%
    Peach 25.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.77 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 231.00 to 233.00 °C. @ 760.00 mm Hg

    Flash point

    • 101.8 ˚C est.

  • Synonyms

    • Cyclohexyl valerate
    • 1551-43-5
    • Cyclohexyl pentanoate
    • Pentanoic acid, cyclohexyl ester
    • Cyclohexylvalerate
    • Cyclohexyl n-valerate
    • 1-Cyclohexyl pentanoate
    • Pentanoic acid,cyclohexyl ester
    • EINECS 216-289-3
    • Cyclohexyl pentanoate #
    • AI3-06061
    • pentanoic acid cyclohexyl ester
    • SCHEMBL1177076
    • DTXSID10165811
    • CHEBI:171840
    • NSC53957
    • LMFA07010825
    • NSC 53957
    • NSC-53957
    • s11859
    • BS-18928
    • DB-043257
    • NS00021693
    • Q63396281

  • Applications

    Pentanoic acid, cyclohexyl ester (CAS 1551-43-5) is the cyclohexyl ester of valeric acid, commonly used as a fragrance ingredient and fixative in perfumery and cosmetic formulations; it may be used in household products such as air fresheners and cleaners to impart or stabilize scent; in industrial manufacturing it can serve as a solvent or processing aid in coatings and inks; it can function as a plasticizer or processing additive in polymers and plastics; and it may appear as an intermediate or formulation aid in various chemical syntheses under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3206.07
    methanol 3211.29
    isopropanol 2950.53
    water 0.42
    ethyl acetate 2101.0
    n-propanol 2423.47
    acetone 3588.43
    n-butanol 2319.97
    acetonitrile 2224.83
    DMF 3108.54
    toluene 1099.96
    isobutanol 1978.64
    1,4-dioxane 2821.28
    methyl acetate 1525.0
    THF 3714.18
    2-butanone 2093.08
    n-pentanol 1495.45
    sec-butanol 2135.21
    n-hexane 544.68
    ethylene glycol 261.33
    NMP 1921.02
    cyclohexane 856.93
    DMSO 2586.87
    n-butyl acetate 2390.21
    n-octanol 856.76
    chloroform 7262.77
    n-propyl acetate 1388.32
    acetic acid 2305.29
    dichloromethane 5469.68
    cyclohexanone 3560.83
    propylene glycol 543.6
    isopropyl acetate 1480.35
    DMAc 1754.31
    2-ethoxyethanol 1194.44
    isopentanol 2092.32
    n-heptane 238.72
    ethyl formate 1466.73
    1,2-dichloroethane 3334.77
    n-hexanol 1840.28
    2-methoxyethanol 1998.84
    isobutyl acetate 941.74
    tetrachloromethane 845.32
    n-pentyl acetate 1244.42
    transcutol 3977.34
    n-heptanol 735.15
    ethylbenzene 653.63
    MIBK 1189.41
    2-propoxyethanol 1782.46
    tert-butanol 2686.21
    MTBE 2093.07
    2-butoxyethanol 1073.78
    propionic acid 1587.5
    o-xylene 597.27
    formic acid 469.8
    diethyl ether 2059.01
    m-xylene 644.6
    p-xylene 921.3
    chlorobenzene 2079.0
    dimethyl carbonate 453.72
    n-octane 117.1
    formamide 637.38
    cyclopentanone 3071.18
    2-pentanone 1978.8
    anisole 1106.61
    cyclopentyl methyl ether 1603.63
    gamma-butyrolactone 2893.85
    1-methoxy-2-propanol 1582.97
    pyridine 3573.94
    3-pentanone 1142.49
    furfural 2589.1
    n-dodecane 95.2
    diethylene glycol 1000.71
    diisopropyl ether 626.19
    tert-amyl alcohol 1944.78
    acetylacetone 1848.53
    n-hexadecane 112.57
    acetophenone 1025.58
    methyl propionate 1188.71
    isopentyl acetate 1945.95
    trichloroethylene 5987.5
    n-nonanol 704.59
    cyclohexanol 2086.92
    benzyl alcohol 959.35
    2-ethylhexanol 1034.59
    isooctanol 623.09
    dipropyl ether 1073.78
    1,2-dichlorobenzene 1647.81
    ethyl lactate 491.34
    propylene carbonate 1830.73
    n-methylformamide 1403.37
    2-pentanol 1633.73
    n-pentane 373.98
    1-propoxy-2-propanol 1475.09
    1-methoxy-2-propyl acetate 1248.81
    2-(2-methoxypropoxy) propanol 940.0
    mesitylene 445.82
    ε-caprolactone 2665.49
    p-cymene 404.46
    epichlorohydrin 3091.52
    1,1,1-trichloroethane 3145.9
    2-aminoethanol 737.14
    morpholine-4-carbaldehyde 1893.43
    sulfolane 2688.92
    2,2,4-trimethylpentane 144.52
    2-methyltetrahydrofuran 2733.44
    n-hexyl acetate 1636.87
    isooctane 134.34
    2-(2-butoxyethoxy)ethanol 1325.17
    sec-butyl acetate 965.15
    tert-butyl acetate 1255.06
    decalin 294.05
    glycerin 563.23
    diglyme 2299.87
    acrylic acid 1219.94
    isopropyl myristate 603.38
    n-butyric acid 3121.9
    acetyl acetate 1264.93
    di(2-ethylhexyl) phthalate 496.76
    ethyl propionate 1030.07
    nitromethane 2599.72
    1,2-diethoxyethane 1663.41
    benzonitrile 1955.21
    trioctyl phosphate 369.51
    1-bromopropane 2434.84
    gamma-valerolactone 3189.33
    n-decanol 493.2
    triethyl phosphate 427.31
    4-methyl-2-pentanol 863.97
    propionitrile 2111.75
    vinylene carbonate 1739.98
    1,1,2-trichlorotrifluoroethane 2017.07
    DMS 888.0
    cumene 446.42
    2-octanol 579.61
    2-hexanone 1493.41
    octyl acetate 736.86
    limonene 667.36
    1,2-dimethoxyethane 2472.16
    ethyl orthosilicate 420.56
    tributyl phosphate 491.42
    diacetone alcohol 1187.31
    N,N-dimethylaniline 708.89
    acrylonitrile 2162.51
    aniline 1366.12
    1,3-propanediol 1362.71
    bromobenzene 2355.03
    dibromomethane 4009.46
    1,1,2,2-tetrachloroethane 4971.49
    2-methyl-cyclohexyl acetate 822.57
    tetrabutyl urea 582.95
    diisobutyl methanol 566.66
    2-phenylethanol 1056.18
    styrene 1022.04
    dioctyl adipate 791.67
    dimethyl sulfate 593.15
    ethyl butyrate 1189.83
    methyl lactate 556.96
    butyl lactate 865.54
    diethyl carbonate 774.4
    propanediol butyl ether 1026.67
    triethyl orthoformate 749.98
    p-tert-butyltoluene 378.97
    methyl 4-tert-butylbenzoate 822.43
    morpholine 3291.32
    tert-butylamine 1892.22
    n-dodecanol 361.42
    dimethoxymethane 1337.95
    ethylene carbonate 1619.51
    cyrene 603.83
    2-ethoxyethyl acetate 1182.52
    2-ethylhexyl acetate 1378.05
    1,2,4-trichlorobenzene 1715.07
    4-methylpyridine 3158.67
    dibutyl ether 1267.78
    2,6-dimethyl-4-heptanol 566.66
    DEF 1853.16
    dimethyl isosorbide 1234.75
    tetrachloroethylene 3110.55
    eugenol 837.55
    triacetin 1052.76
    span 80 995.98
    1,4-butanediol 525.55
    1,1-dichloroethane 4055.19
    2-methyl-1-pentanol 1271.22
    methyl formate 969.14
    2-methyl-1-butanol 1744.57
    n-decane 174.01
    butyronitrile 2751.45
    3,7-dimethyl-1-octanol 854.36
    1-chlorooctane 667.5
    1-chlorotetradecane 247.55
    n-nonane 178.52
    undecane 121.81
    tert-butylcyclohexane 251.63
    cyclooctane 207.87
    cyclopentanol 1969.2
    tetrahydropyran 3729.6
    tert-amyl methyl ether 1169.44
    2,5,8-trioxanonane 1483.38
    1-hexene 1635.87
    2-isopropoxyethanol 911.5
    2,2,2-trifluoroethanol 496.32
    methyl butyrate 1719.82

    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