Cyclopentanone, 2-(1-hydroxypentyl)-

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  • Identifiers

    CAS number
    42558-01-0

    Molecular formula
    C10H18O2

    SMILES
    CCCCC(C1CCCC1=O)O

  • Odor profile

    Fragrance
    Herbal 48.08%
    Floral 47.53%
    Mint 43.5%
    Jasmin 41.68%
    Sweet 36.9%
    Cooling 32.93%
    Oily 32.45%
    Spicy 32.02%
    Fresh 31.98%
    Woody 31.83%

     

    Flavor
    Herbal 38.77%
    Minty 38.15%
    Fresh 29.17%
    Oily 28.66%
    Fatty 26.88%
    Green 25.9%
    Spicy 25.5%
    Herb 22.6%
    Sweet 21.63%
    Mentholic 21.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.01 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 114.24 ˚C est.

  • Synonyms

    • 2-(1-Hydroxypentyl)cyclopentan-1-one
    • 42558-01-0
    • Cyclopentanone, 2-(1-hydroxypentyl)-
    • 2-(1-hydroxypentyl)cyclopentanone
    • EINECS 255-882-1
    • DTXSID3029366
    • 2-(1-hydroxypentyl)-cyclopentanone
    • SCHEMBL913008
    • DTXCID709366
    • 2-(1-hydroxy-n-pentyl)cyclopentanone
    • DB-049848
    • NS00031212
    • 255-882-1

  • Applications

    Cyclopentanone, 2-(1-hydroxypentyl)-, CAS 42558-01-0 is primarily used as an intermediate in the synthesis of fragrance compounds and can function as a solvent or processing aid in industrial manufacturing; in perfumery and cosmetics, it is commonly employed as a precursor for fragrance ingredients and as an intermediate in aroma formulation; in coatings, inks, and adhesives, it can act as a solvent or precursor to polymer-related derivatives to improve processing and bonding properties; it is also used as a building block in polymer chemistry to access specialty polymer and resin systems; use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4601.3
    methanol 7365.95
    isopropanol 4571.81
    water 3.39
    ethyl acetate 1684.13
    n-propanol 3150.96
    acetone 3342.36
    n-butanol 2686.03
    acetonitrile 2363.83
    DMF 2196.72
    toluene 396.65
    isobutanol 2266.47
    1,4-dioxane 2634.92
    methyl acetate 1146.24
    THF 3552.74
    2-butanone 1623.44
    n-pentanol 1510.47
    sec-butanol 2104.27
    n-hexane 120.32
    ethylene glycol 652.81
    NMP 1179.92
    cyclohexane 193.4
    DMSO 2481.04
    n-butyl acetate 1289.41
    n-octanol 479.07
    chloroform 3650.53
    n-propyl acetate 955.53
    acetic acid 2648.48
    dichloromethane 2624.18
    cyclohexanone 2062.45
    propylene glycol 929.07
    isopropyl acetate 1156.24
    DMAc 958.18
    2-ethoxyethanol 1410.48
    isopentanol 2083.78
    n-heptane 55.26
    ethyl formate 1268.52
    1,2-dichloroethane 1609.73
    n-hexanol 1472.3
    2-methoxyethanol 2749.15
    isobutyl acetate 632.45
    tetrachloromethane 446.22
    n-pentyl acetate 604.34
    transcutol 3801.08
    n-heptanol 479.63
    ethylbenzene 222.33
    MIBK 917.77
    2-propoxyethanol 1817.02
    tert-butanol 3379.87
    MTBE 1858.06
    2-butoxyethanol 827.86
    propionic acid 1600.28
    o-xylene 233.21
    formic acid 935.69
    diethyl ether 1691.17
    m-xylene 286.97
    p-xylene 316.01
    chlorobenzene 835.62
    dimethyl carbonate 304.93
    n-octane 25.38
    formamide 981.14
    cyclopentanone 2148.93
    2-pentanone 1557.8
    anisole 557.85
    cyclopentyl methyl ether 1137.37
    gamma-butyrolactone 2266.62
    1-methoxy-2-propanol 1956.71
    pyridine 1724.66
    3-pentanone 713.41
    furfural 1674.49
    n-dodecane 23.28
    diethylene glycol 1322.82
    diisopropyl ether 413.08
    tert-amyl alcohol 1630.82
    acetylacetone 1242.95
    n-hexadecane 27.04
    acetophenone 477.02
    methyl propionate 841.97
    isopentyl acetate 1000.62
    trichloroethylene 2789.24
    n-nonanol 373.18
    cyclohexanol 1489.21
    benzyl alcohol 620.87
    2-ethylhexanol 558.93
    isooctanol 372.79
    dipropyl ether 560.11
    1,2-dichlorobenzene 622.52
    ethyl lactate 340.81
    propylene carbonate 1215.3
    n-methylformamide 1577.2
    2-pentanol 1534.61
    n-pentane 109.89
    1-propoxy-2-propanol 1137.49
    1-methoxy-2-propyl acetate 809.2
    2-(2-methoxypropoxy) propanol 562.69
    mesitylene 194.33
    ε-caprolactone 1614.53
    p-cymene 148.39
    epichlorohydrin 2255.59
    1,1,1-trichloroethane 1459.43
    2-aminoethanol 1451.32
    morpholine-4-carbaldehyde 1342.85
    sulfolane 1783.42
    2,2,4-trimethylpentane 61.47
    2-methyltetrahydrofuran 2181.34
    n-hexyl acetate 787.56
    isooctane 67.42
    2-(2-butoxyethoxy)ethanol 920.9
    sec-butyl acetate 581.83
    tert-butyl acetate 940.53
    decalin 77.58
    glycerin 1034.04
    diglyme 1642.24
    acrylic acid 1204.96
    isopropyl myristate 239.72
    n-butyric acid 2744.07
    acetyl acetate 836.6
    di(2-ethylhexyl) phthalate 225.5
    ethyl propionate 600.59
    nitromethane 2565.35
    1,2-diethoxyethane 1057.15
    benzonitrile 953.27
    trioctyl phosphate 180.66
    1-bromopropane 1048.24
    gamma-valerolactone 2252.18
    n-decanol 243.71
    triethyl phosphate 194.51
    4-methyl-2-pentanol 707.82
    propionitrile 1665.46
    vinylene carbonate 1056.03
    1,1,2-trichlorotrifluoroethane 1471.65
    DMS 439.65
    cumene 166.58
    2-octanol 319.9
    2-hexanone 1026.7
    octyl acetate 293.53
    limonene 239.23
    1,2-dimethoxyethane 2139.25
    ethyl orthosilicate 204.06
    tributyl phosphate 230.75
    diacetone alcohol 964.28
    N,N-dimethylaniline 308.67
    acrylonitrile 1654.66
    aniline 823.15
    1,3-propanediol 2027.38
    bromobenzene 769.99
    dibromomethane 1736.23
    1,1,2,2-tetrachloroethane 2203.69
    2-methyl-cyclohexyl acetate 388.68
    tetrabutyl urea 256.69
    diisobutyl methanol 304.53
    2-phenylethanol 609.01
    styrene 327.85
    dioctyl adipate 302.48
    dimethyl sulfate 416.6
    ethyl butyrate 571.03
    methyl lactate 482.22
    butyl lactate 449.99
    diethyl carbonate 348.63
    propanediol butyl ether 860.96
    triethyl orthoformate 362.6
    p-tert-butyltoluene 149.74
    methyl 4-tert-butylbenzoate 402.03
    morpholine 2955.3
    tert-butylamine 1898.1
    n-dodecanol 171.05
    dimethoxymethane 1214.49
    ethylene carbonate 1006.52
    cyrene 423.69
    2-ethoxyethyl acetate 710.75
    2-ethylhexyl acetate 630.73
    1,2,4-trichlorobenzene 714.31
    4-methylpyridine 1497.14
    dibutyl ether 498.77
    2,6-dimethyl-4-heptanol 304.53
    DEF 1129.4
    dimethyl isosorbide 751.62
    tetrachloroethylene 1512.89
    eugenol 433.9
    triacetin 520.79
    span 80 531.81
    1,4-butanediol 719.85
    1,1-dichloroethane 2118.41
    2-methyl-1-pentanol 1042.04
    methyl formate 1112.28
    2-methyl-1-butanol 1547.53
    n-decane 44.51
    butyronitrile 2027.84
    3,7-dimethyl-1-octanol 437.93
    1-chlorooctane 231.52
    1-chlorotetradecane 74.87
    n-nonane 43.44
    undecane 30.39
    tert-butylcyclohexane 77.51
    cyclooctane 45.97
    cyclopentanol 1698.46
    tetrahydropyran 2664.41
    tert-amyl methyl ether 744.04
    2,5,8-trioxanonane 877.24
    1-hexene 555.86
    2-isopropoxyethanol 943.89
    2,2,2-trifluoroethanol 621.82
    methyl butyrate 1012.25

    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