1-Acetyl-4-isopropylidene-cyclopentene

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  • Identifiers

    CAS number
    55873-39-7

    Molecular formula
    C10H14O

    SMILES
    CC(=C1CC=C(C1)C(=O)C)C

  • Odor profile

    Fragrance
    Herbal 51.23%
    Woody 50.2%
    Floral 49.47%
    Mint 48.95%
    Fruity 38.53%
    Sweet 35.59%
    Spicy 34.48%
    Tobacco 34.22%
    Dry 33.13%
    Fresh 32.42%

     

    Flavor
    Sweet 45.05%
    Minty 43.12%
    Spicy 41.62%
    Herbal 38.0%
    Woody 36.4%
    Floral 35.65%
    Mint 34.09%
    Phenolic 31.99%
    Tobacco 30.35%
    Spice 29.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.37 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 83.67 ˚C est.

  • Synonyms

    • 1-Acetyl-4-isopropylidene-cyclopentene
    • 55873-39-7
    • DTXSID80286507
    • 1-(4-propan-2-ylidenecyclopenten-1-yl)ethanone
    • NSC46245
    • SCHEMBL6114233
    • DTXCID40237656
    • NSC-46245

  • Applications

    1-Acetyl-4-isopropylidene-cyclopentene (CAS 55873-39-7) is primarily used as an organic synthesis intermediate. In fragrance chemistry it may serve as a building block for aroma compounds and can be evaluated as a precursor in the development of perfume ingredients. In cosmetics/personal care it may be explored as an aroma component or fragrance ingredient within formulations, while in household products it can function as an odorant or fragrance additive in air fresheners and cleaners. In industrial manufacturing it is used as a specialty intermediate for further chemical transformations, and in polymers/plastics research it can act as a precursor or functional additive in the synthesis of specialty monomers or crosslinking reagents. Additionally, it may be considered as a synthesis intermediate for coatings and inks formulations where fragrance-related or functionalized cyclopentene derivatives are desired, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.96
    methanol 331.79
    isopropanol 364.03
    water 2.41
    ethyl acetate 519.47
    n-propanol 310.82
    acetone 551.44
    n-butanol 328.11
    acetonitrile 740.69
    DMF 562.59
    toluene 372.11
    isobutanol 243.37
    1,4-dioxane 1291.46
    methyl acetate 519.18
    THF 1164.78
    2-butanone 473.15
    n-pentanol 200.69
    sec-butanol 313.77
    n-hexane 70.23
    ethylene glycol 61.46
    NMP 552.13
    cyclohexane 136.12
    DMSO 285.96
    n-butyl acetate 308.66
    n-octanol 184.06
    chloroform 1820.11
    n-propyl acetate 245.71
    acetic acid 320.68
    dichloromethane 1417.39
    cyclohexanone 610.77
    propylene glycol 105.04
    isopropyl acetate 307.2
    DMAc 515.32
    2-ethoxyethanol 244.27
    isopentanol 283.32
    n-heptane 67.75
    ethyl formate 296.62
    1,2-dichloroethane 579.63
    n-hexanol 287.56
    2-methoxyethanol 418.15
    isobutyl acetate 167.91
    tetrachloromethane 318.55
    n-pentyl acetate 208.88
    transcutol 1016.72
    n-heptanol 166.59
    ethylbenzene 218.24
    MIBK 238.82
    2-propoxyethanol 392.59
    tert-butanol 476.98
    MTBE 434.07
    2-butoxyethanol 258.37
    propionic acid 274.97
    o-xylene 234.82
    formic acid 102.52
    diethyl ether 469.18
    m-xylene 247.1
    p-xylene 307.91
    chlorobenzene 437.78
    dimethyl carbonate 170.77
    n-octane 30.4
    formamide 218.21
    cyclopentanone 679.4
    2-pentanone 359.95
    anisole 439.24
    cyclopentyl methyl ether 450.87
    gamma-butyrolactone 703.49
    1-methoxy-2-propanol 344.04
    pyridine 718.95
    3-pentanone 292.59
    furfural 608.76
    n-dodecane 27.54
    diethylene glycol 237.3
    diisopropyl ether 153.27
    tert-amyl alcohol 358.7
    acetylacetone 409.5
    n-hexadecane 31.49
    acetophenone 328.44
    methyl propionate 333.53
    isopentyl acetate 279.84
    trichloroethylene 1142.02
    n-nonanol 169.43
    cyclohexanol 332.47
    benzyl alcohol 253.08
    2-ethylhexanol 197.61
    isooctanol 131.29
    dipropyl ether 263.6
    1,2-dichlorobenzene 387.2
    ethyl lactate 112.4
    propylene carbonate 424.84
    n-methylformamide 271.03
    2-pentanol 237.47
    n-pentane 70.03
    1-propoxy-2-propanol 290.9
    1-methoxy-2-propyl acetate 334.41
    2-(2-methoxypropoxy) propanol 300.95
    mesitylene 151.39
    ε-caprolactone 510.9
    p-cymene 143.27
    epichlorohydrin 790.0
    1,1,1-trichloroethane 800.81
    2-aminoethanol 151.72
    morpholine-4-carbaldehyde 687.03
    sulfolane 504.24
    2,2,4-trimethylpentane 42.59
    2-methyltetrahydrofuran 861.74
    n-hexyl acetate 340.68
    isooctane 31.03
    2-(2-butoxyethoxy)ethanol 382.37
    sec-butyl acetate 198.43
    tert-butyl acetate 314.66
    decalin 71.97
    glycerin 121.75
    diglyme 656.94
    acrylic acid 220.3
    isopropyl myristate 149.84
    n-butyric acid 378.12
    acetyl acetate 347.74
    di(2-ethylhexyl) phthalate 143.85
    ethyl propionate 247.12
    nitromethane 595.04
    1,2-diethoxyethane 420.46
    benzonitrile 397.66
    trioctyl phosphate 94.62
    1-bromopropane 410.29
    gamma-valerolactone 813.7
    n-decanol 126.42
    triethyl phosphate 147.15
    4-methyl-2-pentanol 146.86
    propionitrile 452.38
    vinylene carbonate 409.81
    1,1,2-trichlorotrifluoroethane 408.95
    DMS 262.46
    cumene 149.86
    2-octanol 122.77
    2-hexanone 264.39
    octyl acetate 191.03
    limonene 200.52
    1,2-dimethoxyethane 572.53
    ethyl orthosilicate 140.15
    tributyl phosphate 119.82
    diacetone alcohol 286.42
    N,N-dimethylaniline 268.41
    acrylonitrile 460.58
    aniline 370.96
    1,3-propanediol 218.66
    bromobenzene 479.69
    dibromomethane 872.49
    1,1,2,2-tetrachloroethane 872.78
    2-methyl-cyclohexyl acetate 249.85
    tetrabutyl urea 147.31
    diisobutyl methanol 122.16
    2-phenylethanol 288.06
    styrene 262.18
    dioctyl adipate 213.23
    dimethyl sulfate 205.78
    ethyl butyrate 269.79
    methyl lactate 147.92
    butyl lactate 149.88
    diethyl carbonate 210.69
    propanediol butyl ether 217.21
    triethyl orthoformate 188.77
    p-tert-butyltoluene 138.51
    methyl 4-tert-butylbenzoate 273.85
    morpholine 1137.16
    tert-butylamine 348.42
    n-dodecanol 98.45
    dimethoxymethane 402.92
    ethylene carbonate 333.68
    cyrene 246.3
    2-ethoxyethyl acetate 299.92
    2-ethylhexyl acetate 239.56
    1,2,4-trichlorobenzene 457.47
    4-methylpyridine 702.7
    dibutyl ether 237.81
    2,6-dimethyl-4-heptanol 122.16
    DEF 369.47
    dimethyl isosorbide 505.56
    tetrachloroethylene 566.96
    eugenol 253.69
    triacetin 306.98
    span 80 266.8
    1,4-butanediol 78.82
    1,1-dichloroethane 783.24
    2-methyl-1-pentanol 208.25
    methyl formate 223.19
    2-methyl-1-butanol 266.63
    n-decane 43.4
    butyronitrile 461.31
    3,7-dimethyl-1-octanol 176.94
    1-chlorooctane 144.6
    1-chlorotetradecane 66.63
    n-nonane 40.47
    undecane 33.57
    tert-butylcyclohexane 64.79
    cyclooctane 47.88
    cyclopentanol 331.97
    tetrahydropyran 922.78
    tert-amyl methyl ether 303.68
    2,5,8-trioxanonane 469.19
    1-hexene 195.02
    2-isopropoxyethanol 193.77
    2,2,2-trifluoroethanol 144.42
    methyl butyrate 286.73

    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