Methyl (cyclopent-1-en-1-yl)acetate

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  • Identifiers

    CAS number
    21622-07-1

    Molecular formula
    C8H12O2

    SMILES
    COC(=O)CC1=CCCC1

  • Odor profile

    Fragrance
    Fruity 81.16%
    Sweet 72.67%
    Floral 57.06%
    Honey 50.02%
    Pineapple 46.9%
    Waxy 43.66%
    Rose 39.77%
    Green 36.65%
    Peach 33.04%
    Tropical 30.85%

     

    Flavor
    Fruity 68.2%
    Floral 40.37%
    Sweet 32.65%
    Tropical 31.39%
    Pineapple 30.05%
    Fruit 29.84%
    Berry 27.91%
    Spicy 25.36%
    Green 23.33%
    Rose 22.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.95 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 81.04 ˚C est.

  • Synonyms

    • 21622-07-1
    • methyl 2-(cyclopent-1-en-1-yl)acetate
    • Methyl (cyclopent-1-en-1-yl)acetate
    • 1-Cyclopentene-1-acetic acid, methyl ester
    • methyl 2-(cyclopenten-1-yl)acetate
    • SCHEMBL1691608
    • DTXSID90484057
    • PTVJOSBDUWCCNT-UHFFFAOYSA-N
    • cyclopentenylacetic acid methyl ester
    • InChI=1/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h4H,2-3,5-6H2,1H

  • Applications

    Methyl (cyclopent-1-en-1-yl)acetate (CAS 21622-07-1) is typically used as a fragrance ingredient and aroma compound, where the cyclopentenyl moiety contributes a green, fruity character and serves as a synthetic building block in perfumery. It is commonly evaluated as an intermediate in fragrance and flavor chemistry, enabling the construction of more complex scent or taste molecules. In cosmetics and personal care formulations, it can appear as a fragrance component or scent additive under appropriate regulatory allowances. It may be employed in household products as part of fragrance blends to impart aroma. In industrial manufacturing, it can serve as a specialty ester in the synthesis of fragrance-related materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 640.58
    methanol 733.3
    isopropanol 635.68
    water 7.84
    ethyl acetate 180.92
    n-propanol 499.58
    acetone 301.14
    n-butanol 431.79
    acetonitrile 339.76
    DMF 1081.54
    toluene 182.97
    isobutanol 387.98
    1,4-dioxane 575.75
    methyl acetate 259.8
    THF 425.13
    2-butanone 255.88
    n-pentanol 274.02
    sec-butanol 513.28
    n-hexane 19.65
    ethylene glycol 318.64
    NMP 410.21
    cyclohexane 46.5
    DMSO 599.79
    n-butyl acetate 114.93
    n-octanol 174.07
    chloroform 1121.25
    n-propyl acetate 102.99
    acetic acid 402.16
    dichloromethane 733.21
    cyclohexanone 301.82
    propylene glycol 538.65
    isopropyl acetate 103.75
    DMAc 644.4
    2-ethoxyethanol 365.87
    isopentanol 296.38
    n-heptane 18.8
    ethyl formate 198.01
    1,2-dichloroethane 306.82
    n-hexanol 264.98
    2-methoxyethanol 735.91
    isobutyl acetate 72.66
    tetrachloromethane 120.08
    n-pentyl acetate 89.7
    transcutol 711.41
    n-heptanol 137.11
    ethylbenzene 110.6
    MIBK 121.39
    2-propoxyethanol 391.38
    tert-butanol 569.24
    MTBE 204.5
    2-butoxyethanol 233.59
    propionic acid 381.65
    o-xylene 140.2
    formic acid 194.62
    diethyl ether 152.36
    m-xylene 136.73
    p-xylene 140.81
    chlorobenzene 214.16
    dimethyl carbonate 116.18
    n-octane 11.07
    formamide 265.47
    cyclopentanone 300.53
    2-pentanone 173.13
    anisole 236.95
    cyclopentyl methyl ether 176.26
    gamma-butyrolactone 325.3
    1-methoxy-2-propanol 575.11
    pyridine 478.33
    3-pentanone 129.14
    furfural 457.46
    n-dodecane 15.24
    diethylene glycol 418.34
    diisopropyl ether 43.23
    tert-amyl alcohol 408.79
    acetylacetone 185.24
    n-hexadecane 16.82
    acetophenone 191.98
    methyl propionate 189.39
    isopentyl acetate 113.08
    trichloroethylene 659.45
    n-nonanol 145.95
    cyclohexanol 354.05
    benzyl alcohol 261.64
    2-ethylhexanol 132.67
    isooctanol 108.61
    dipropyl ether 84.16
    1,2-dichlorobenzene 188.16
    ethyl lactate 129.36
    propylene carbonate 234.86
    n-methylformamide 438.33
    2-pentanol 265.83
    n-pentane 25.68
    1-propoxy-2-propanol 275.75
    1-methoxy-2-propyl acetate 160.68
    2-(2-methoxypropoxy) propanol 235.91
    mesitylene 81.13
    ε-caprolactone 260.65
    p-cymene 68.27
    epichlorohydrin 402.99
    1,1,1-trichloroethane 335.11
    2-aminoethanol 526.66
    morpholine-4-carbaldehyde 563.25
    sulfolane 379.57
    2,2,4-trimethylpentane 19.89
    2-methyltetrahydrofuran 281.74
    n-hexyl acetate 159.02
    isooctane 15.86
    2-(2-butoxyethoxy)ethanol 316.76
    sec-butyl acetate 76.8
    tert-butyl acetate 113.73
    decalin 29.14
    glycerin 564.76
    diglyme 483.73
    acrylic acid 354.56
    isopropyl myristate 73.6
    n-butyric acid 348.78
    acetyl acetate 127.74
    di(2-ethylhexyl) phthalate 92.5
    ethyl propionate 105.91
    nitromethane 478.12
    1,2-diethoxyethane 149.89
    benzonitrile 301.1
    trioctyl phosphate 65.0
    1-bromopropane 212.29
    gamma-valerolactone 471.94
    n-decanol 110.68
    triethyl phosphate 71.85
    4-methyl-2-pentanol 136.76
    propionitrile 310.62
    vinylene carbonate 274.26
    1,1,2-trichlorotrifluoroethane 476.95
    DMS 133.17
    cumene 81.27
    2-octanol 108.19
    2-hexanone 120.81
    octyl acetate 96.97
    limonene 87.98
    1,2-dimethoxyethane 408.12
    ethyl orthosilicate 66.61
    tributyl phosphate 66.67
    diacetone alcohol 230.69
    N,N-dimethylaniline 169.97
    acrylonitrile 428.4
    aniline 311.42
    1,3-propanediol 538.23
    bromobenzene 214.32
    dibromomethane 501.27
    1,1,2,2-tetrachloroethane 588.31
    2-methyl-cyclohexyl acetate 96.26
    tetrabutyl urea 101.32
    diisobutyl methanol 86.02
    2-phenylethanol 212.79
    styrene 141.07
    dioctyl adipate 108.99
    dimethyl sulfate 178.16
    ethyl butyrate 96.46
    methyl lactate 204.38
    butyl lactate 119.7
    diethyl carbonate 87.3
    propanediol butyl ether 320.36
    triethyl orthoformate 83.9
    p-tert-butyltoluene 68.91
    methyl 4-tert-butylbenzoate 184.08
    morpholine 670.85
    tert-butylamine 319.85
    n-dodecanol 88.53
    dimethoxymethane 341.66
    ethylene carbonate 199.2
    cyrene 217.83
    2-ethoxyethyl acetate 137.21
    2-ethylhexyl acetate 83.99
    1,2,4-trichlorobenzene 238.22
    4-methylpyridine 404.51
    dibutyl ether 90.08
    2,6-dimethyl-4-heptanol 86.02
    DEF 251.18
    dimethyl isosorbide 262.89
    tetrachloroethylene 330.1
    eugenol 209.25
    triacetin 166.15
    span 80 234.72
    1,4-butanediol 255.1
    1,1-dichloroethane 411.61
    2-methyl-1-pentanol 210.29
    methyl formate 286.57
    2-methyl-1-butanol 306.31
    n-decane 20.96
    butyronitrile 288.85
    3,7-dimethyl-1-octanol 149.12
    1-chlorooctane 77.81
    1-chlorotetradecane 38.61
    n-nonane 18.66
    undecane 17.63
    tert-butylcyclohexane 28.74
    cyclooctane 15.32
    cyclopentanol 365.18
    tetrahydropyran 378.36
    tert-amyl methyl ether 147.03
    2,5,8-trioxanonane 368.29
    1-hexene 82.25
    2-isopropoxyethanol 240.6
    2,2,2-trifluoroethanol 160.87
    methyl butyrate 143.85

    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