1-Acetyl-4-isopropenylcyclopentene

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  • Identifiers

    CAS number
    2704-76-9

    Molecular formula
    C10H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 66.37%
    Green 61.66%
    Mint 61.43%
    Fruity 58.99%
    Woody 55.09%
    Sweet 48.75%
    Spicy 48.49%
    Floral 44.29%
    Fresh 43.74%
    Citrus 39.47%

     

    Flavor
    Minty 47.19%
    Herbal 42.32%
    Mint 39.74%
    Spice 32.26%
    Sweet 32.25%
    Spicy 31.58%
    Fresh 31.25%
    Woody 26.23%
    Phenolic 25.98%
    Basil 24.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.82 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 82.03 ˚C est.

  • Synonyms

    • 1-acetyl-4-isopropenylcyclopentene
    • 1-acetyl-4-isopropenyl-cyclopentene
    • 1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone
    • SCHEMBL6359659
    • 1-[4-(prop-1-en-2-yl)cyclopent-1-en-1-yl]ethan-1-one
    • BTXSVMBTNJSALB-UHFFFAOYSA-N
    • CHEBI:195901
    • l-acetyl-4-isopropenylcyclopentene
    • DTXSID301228262
    • 1-Acetyl-4-isopropenyl-1-cyclopentene
    • LMPR0102080001
    • 2704-76-9
    • 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone
    • 1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone
    • 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone
    • 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 9CI
    • 2704-76-9

  • Applications

    1-Acetyl-4-isopropenylcyclopentene (CAS 2704-76-9) is used in industrial contexts primarily as an odorant and a fragrance intermediate; it serves as a fragrance ingredient or building block in the synthesis of other aroma compounds. It may be used in cosmetics and personal care products as a fragrance component, and in household products such as cleaners and air fresheners to impart scent. In industrial manufacturing, it can function as an intermediate for fragrance materials and related specialty chemicals, with its alkenyl and acetyl functionalities enabling further chemical modification. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 856.09
    methanol 706.89
    isopropanol 821.14
    water 2.08
    ethyl acetate 905.96
    n-propanol 650.02
    acetone 857.91
    n-butanol 698.74
    acetonitrile 1016.94
    DMF 841.35
    toluene 482.36
    isobutanol 487.05
    1,4-dioxane 2035.75
    methyl acetate 700.76
    THF 2005.15
    2-butanone 689.9
    n-pentanol 384.56
    sec-butanol 578.06
    n-hexane 62.16
    ethylene glycol 101.22
    NMP 621.75
    cyclohexane 147.02
    DMSO 508.01
    n-butyl acetate 587.56
    n-octanol 252.55
    chloroform 2287.55
    n-propyl acetate 383.12
    acetic acid 570.37
    dichloromethane 1934.0
    cyclohexanone 911.56
    propylene glycol 194.04
    isopropyl acetate 511.01
    DMAc 584.28
    2-ethoxyethanol 423.79
    isopentanol 592.73
    n-heptane 64.22
    ethyl formate 515.94
    1,2-dichloroethane 826.17
    n-hexanol 570.5
    2-methoxyethanol 790.58
    isobutyl acetate 250.73
    tetrachloromethane 324.24
    n-pentyl acetate 297.02
    transcutol 2041.61
    n-heptanol 223.22
    ethylbenzene 217.57
    MIBK 385.55
    2-propoxyethanol 740.54
    tert-butanol 913.33
    MTBE 710.24
    2-butoxyethanol 383.86
    propionic acid 410.55
    o-xylene 254.23
    formic acid 174.57
    diethyl ether 818.67
    m-xylene 303.11
    p-xylene 300.91
    chlorobenzene 579.75
    dimethyl carbonate 217.14
    n-octane 24.63
    formamide 330.66
    cyclopentanone 930.13
    2-pentanone 619.57
    anisole 517.14
    cyclopentyl methyl ether 691.1
    gamma-butyrolactone 1017.0
    1-methoxy-2-propanol 673.56
    pyridine 1023.1
    3-pentanone 381.73
    furfural 828.13
    n-dodecane 24.38
    diethylene glycol 426.36
    diisopropyl ether 234.96
    tert-amyl alcohol 580.62
    acetylacetone 618.23
    n-hexadecane 28.03
    acetophenone 361.81
    methyl propionate 464.79
    isopentyl acetate 496.35
    trichloroethylene 1561.34
    n-nonanol 220.41
    cyclohexanol 570.11
    benzyl alcohol 335.77
    2-ethylhexanol 299.92
    isooctanol 177.44
    dipropyl ether 370.27
    1,2-dichlorobenzene 459.71
    ethyl lactate 156.82
    propylene carbonate 615.86
    n-methylformamide 402.82
    2-pentanol 457.18
    n-pentane 77.03
    1-propoxy-2-propanol 495.06
    1-methoxy-2-propyl acetate 570.56
    2-(2-methoxypropoxy) propanol 446.98
    mesitylene 181.51
    ε-caprolactone 780.2
    p-cymene 159.11
    epichlorohydrin 1291.66
    1,1,1-trichloroethane 980.4
    2-aminoethanol 260.01
    morpholine-4-carbaldehyde 951.27
    sulfolane 644.84
    2,2,4-trimethylpentane 46.36
    2-methyltetrahydrofuran 1432.75
    n-hexyl acetate 459.33
    isooctane 42.2
    2-(2-butoxyethoxy)ethanol 631.65
    sec-butyl acetate 286.89
    tert-butyl acetate 495.31
    decalin 65.37
    glycerin 218.14
    diglyme 1028.35
    acrylic acid 288.32
    isopropyl myristate 183.59
    n-butyric acid 755.51
    acetyl acetate 471.08
    di(2-ethylhexyl) phthalate 187.22
    ethyl propionate 343.43
    nitromethane 897.86
    1,2-diethoxyethane 739.59
    benzonitrile 570.64
    trioctyl phosphate 122.58
    1-bromopropane 585.45
    gamma-valerolactone 1198.71
    n-decanol 162.37
    triethyl phosphate 165.59
    4-methyl-2-pentanol 277.31
    propionitrile 676.77
    vinylene carbonate 557.98
    1,1,2-trichlorotrifluoroethane 553.75
    DMS 340.99
    cumene 154.29
    2-octanol 159.12
    2-hexanone 385.54
    octyl acetate 237.41
    limonene 237.18
    1,2-dimethoxyethane 866.42
    ethyl orthosilicate 162.46
    tributyl phosphate 163.4
    diacetone alcohol 458.42
    N,N-dimethylaniline 285.69
    acrylonitrile 641.63
    aniline 552.77
    1,3-propanediol 456.21
    bromobenzene 613.25
    dibromomethane 1184.1
    1,1,2,2-tetrachloroethane 1075.44
    2-methyl-cyclohexyl acetate 311.87
    tetrabutyl urea 185.52
    diisobutyl methanol 181.17
    2-phenylethanol 405.42
    styrene 283.88
    dioctyl adipate 258.31
    dimethyl sulfate 233.1
    ethyl butyrate 385.98
    methyl lactate 208.42
    butyl lactate 216.67
    diethyl carbonate 282.79
    propanediol butyl ether 364.84
    triethyl orthoformate 258.72
    p-tert-butyltoluene 156.08
    methyl 4-tert-butylbenzoate 323.16
    morpholine 2014.99
    tert-butylamine 616.22
    n-dodecanol 123.14
    dimethoxymethane 656.67
    ethylene carbonate 496.39
    cyrene 304.73
    2-ethoxyethyl acetate 447.07
    2-ethylhexyl acetate 381.45
    1,2,4-trichlorobenzene 541.5
    4-methylpyridine 1024.61
    dibutyl ether 317.22
    2,6-dimethyl-4-heptanol 181.17
    DEF 535.91
    dimethyl isosorbide 698.37
    tetrachloroethylene 658.36
    eugenol 317.8
    triacetin 400.93
    span 80 383.82
    1,4-butanediol 137.26
    1,1-dichloroethane 1065.47
    2-methyl-1-pentanol 350.89
    methyl formate 328.93
    2-methyl-1-butanol 488.03
    n-decane 38.82
    butyronitrile 802.17
    3,7-dimethyl-1-octanol 268.97
    1-chlorooctane 160.93
    1-chlorotetradecane 67.59
    n-nonane 35.24
    undecane 30.07
    tert-butylcyclohexane 61.97
    cyclooctane 44.8
    cyclopentanol 540.29
    tetrahydropyran 1589.04
    tert-amyl methyl ether 409.11
    2,5,8-trioxanonane 711.87
    1-hexene 230.86
    2-isopropoxyethanol 313.15
    2,2,2-trifluoroethanol 185.98
    methyl butyrate 421.78

    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