2-Hydroxy-3-propyl-2-cyclopenten-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25684-04-2

    Molecular formula
    C8H12O2

    SMILES
    CCCC1=C(C(=O)CC1)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 60.76%
    Sweet 52.42%
    Herbal 36.49%
    Spicy 36.32%
    Burnt 34.41%
    Mint 31.65%
    Phenolic 27.92%
    Woody 26.34%
    Lactonic 25.49%
    Fruity 23.04%

     

    Flavor
    Caramel 33.28%
    Herbal 30.59%
    Minty 29.99%
    Spice 29.91%
    Maple 28.46%
    Sweet 26.53%
    Spicy 25.59%
    Celery 24.41%
    Smoky 22.73%
    Maple syrup 22.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.57 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 105.95 ˚C est.

  • Synonyms

    • 2-Hydroxy-3-propyl-2-cyclopenten-1-one
    • 25684-04-2
    • 2-Cyclopenten-1-one, 2-hydroxy-3-propyl
    • DTXSID10334287
    • RefChem:87403
    • DTXCID20285377
    • XAXYCXCTGDUBNW-UHFFFAOYSA-N
    • 2-hydroxy-3-propylcyclopent-2-en-1-one
    • SCHEMBL11799159
    • NS00113878
    • 25684-04-2

  • Applications

    2-Hydroxy-3-propyl-2-cyclopenten-1-one (CAS 25684-04-2) is primarily used as an aroma chemical and fragrance intermediate in the fragrance industry; it may also be evaluated for use in flavor formulations; in cosmetics and personal care, it serves as a fragrance ingredient; and in industrial manufacturing, it acts as an intermediate for the synthesis of aroma-related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2099.89
    methanol 2817.28
    isopropanol 1672.43
    water 9.22
    ethyl acetate 1352.23
    n-propanol 1348.07
    acetone 2400.24
    n-butanol 1022.78
    acetonitrile 1896.83
    DMF 2197.24
    toluene 257.92
    isobutanol 959.82
    1,4-dioxane 1529.24
    methyl acetate 1512.85
    THF 1739.92
    2-butanone 1550.28
    n-pentanol 602.29
    sec-butanol 997.84
    n-hexane 30.47
    ethylene glycol 424.26
    NMP 1132.96
    cyclohexane 40.13
    DMSO 2094.5
    n-butyl acetate 867.97
    n-octanol 352.66
    chloroform 1884.52
    n-propyl acetate 795.52
    acetic acid 1325.25
    dichloromethane 2044.4
    cyclohexanone 1219.1
    propylene glycol 429.14
    isopropyl acetate 777.63
    DMAc 1042.84
    2-ethoxyethanol 1112.84
    isopentanol 867.75
    n-heptane 24.57
    ethyl formate 1003.03
    1,2-dichloroethane 1411.39
    n-hexanol 649.47
    2-methoxyethanol 1723.91
    isobutyl acetate 462.9
    tetrachloromethane 278.05
    n-pentyl acetate 503.95
    transcutol 2758.34
    n-heptanol 340.76
    ethylbenzene 190.52
    MIBK 603.86
    2-propoxyethanol 1110.65
    tert-butanol 1499.39
    MTBE 1122.18
    2-butoxyethanol 680.76
    propionic acid 992.77
    o-xylene 203.77
    formic acid 651.91
    diethyl ether 932.15
    m-xylene 227.99
    p-xylene 252.17
    chlorobenzene 566.61
    dimethyl carbonate 378.68
    n-octane 20.2
    formamide 1188.44
    cyclopentanone 1669.33
    2-pentanone 1042.05
    anisole 553.16
    cyclopentyl methyl ether 577.51
    gamma-butyrolactone 2018.81
    1-methoxy-2-propanol 1144.33
    pyridine 1097.54
    3-pentanone 614.39
    furfural 1386.71
    n-dodecane 23.34
    diethylene glycol 831.99
    diisopropyl ether 254.17
    tert-amyl alcohol 1031.46
    acetylacetone 1128.68
    n-hexadecane 26.66
    acetophenone 498.55
    methyl propionate 863.42
    isopentyl acetate 743.34
    trichloroethylene 2428.82
    n-nonanol 276.62
    cyclohexanol 495.63
    benzyl alcohol 439.1
    2-ethylhexanol 302.88
    isooctanol 287.17
    dipropyl ether 278.85
    1,2-dichlorobenzene 513.28
    ethyl lactate 285.84
    propylene carbonate 953.14
    n-methylformamide 1565.83
    2-pentanol 629.72
    n-pentane 32.16
    1-propoxy-2-propanol 691.17
    1-methoxy-2-propyl acetate 637.59
    2-(2-methoxypropoxy) propanol 464.37
    mesitylene 164.25
    ε-caprolactone 1058.95
    p-cymene 129.76
    epichlorohydrin 2009.07
    1,1,1-trichloroethane 1145.18
    2-aminoethanol 809.28
    morpholine-4-carbaldehyde 1241.26
    sulfolane 1759.19
    2,2,4-trimethylpentane 37.86
    2-methyltetrahydrofuran 1101.1
    n-hexyl acetate 652.68
    isooctane 38.35
    2-(2-butoxyethoxy)ethanol 738.26
    sec-butyl acetate 481.09
    tert-butyl acetate 772.67
    decalin 40.79
    glycerin 517.86
    diglyme 1339.44
    acrylic acid 806.85
    isopropyl myristate 213.06
    n-butyric acid 1320.03
    acetyl acetate 630.16
    di(2-ethylhexyl) phthalate 186.31
    ethyl propionate 544.73
    nitromethane 2520.67
    1,2-diethoxyethane 807.49
    benzonitrile 697.26
    trioctyl phosphate 151.43
    1-bromopropane 620.26
    gamma-valerolactone 1734.35
    n-decanol 196.42
    triethyl phosphate 168.98
    4-methyl-2-pentanol 371.02
    propionitrile 1122.53
    vinylene carbonate 854.77
    1,1,2-trichlorotrifluoroethane 961.61
    DMS 489.35
    cumene 152.72
    2-octanol 252.77
    2-hexanone 652.5
    octyl acetate 289.11
    limonene 172.39
    1,2-dimethoxyethane 1373.46
    ethyl orthosilicate 168.4
    tributyl phosphate 178.43
    diacetone alcohol 771.07
    N,N-dimethylaniline 305.43
    acrylonitrile 1513.23
    aniline 456.91
    1,3-propanediol 1078.76
    bromobenzene 574.08
    dibromomethane 1164.45
    1,1,2,2-tetrachloroethane 1561.86
    2-methyl-cyclohexyl acetate 298.35
    tetrabutyl urea 220.47
    diisobutyl methanol 203.83
    2-phenylethanol 442.53
    styrene 262.34
    dioctyl adipate 259.44
    dimethyl sulfate 576.98
    ethyl butyrate 465.24
    methyl lactate 371.08
    butyl lactate 347.51
    diethyl carbonate 300.84
    propanediol butyl ether 606.06
    triethyl orthoformate 256.77
    p-tert-butyltoluene 131.38
    methyl 4-tert-butylbenzoate 411.62
    morpholine 1581.4
    tert-butylamine 781.51
    n-dodecanol 144.44
    dimethoxymethane 1095.75
    ethylene carbonate 740.67
    cyrene 387.51
    2-ethoxyethyl acetate 688.2
    2-ethylhexyl acetate 464.31
    1,2,4-trichlorobenzene 583.53
    4-methylpyridine 1013.97
    dibutyl ether 318.0
    2,6-dimethyl-4-heptanol 203.83
    DEF 923.04
    dimethyl isosorbide 685.57
    tetrachloroethylene 1072.46
    eugenol 444.11
    triacetin 469.6
    span 80 363.27
    1,4-butanediol 459.54
    1,1-dichloroethane 1540.36
    2-methyl-1-pentanol 560.48
    methyl formate 1198.72
    2-methyl-1-butanol 766.92
    n-decane 36.25
    butyronitrile 1001.5
    3,7-dimethyl-1-octanol 308.84
    1-chlorooctane 194.16
    1-chlorotetradecane 76.13
    n-nonane 32.41
    undecane 28.43
    tert-butylcyclohexane 46.61
    cyclooctane 15.85
    cyclopentanol 678.23
    tetrahydropyran 1000.27
    tert-amyl methyl ether 552.88
    2,5,8-trioxanonane 733.43
    1-hexene 184.7
    2-isopropoxyethanol 742.23
    2,2,2-trifluoroethanol 503.75
    methyl butyrate 800.93

    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