2-Cyclopenten-1-one

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  • Identifiers

    CAS number
    930-30-3

    Molecular formula
    C5H6O

    SMILES
    C1CC(=O)C=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 58.18%
    Caramellic 58.01%
    Mint 51.33%
    Roasted 50.99%
    Burnt 48.13%
    Green 47.83%
    Sweet 41.29%
    Coumarinic 36.88%
    Ketonic 34.85%
    Musty 32.72%

     

    Flavor
    Minty 30.66%
    Spice 27.58%
    Cherry 26.11%
    Fatty 21.8%
    Buttery 21.65%
    Maple syrup 20.94%
    Phenolic 20.71%
    Shrimp 20.54%
    Fenugreek 20.46%
    Basil 20.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.76 (neutral)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    158°C

    Flash point

    • 34.8 ˚C est.

  • Synonyms

    • 2-CYCLOPENTEN-1-ONE
    • 930-30-3
    • 2-Cyclopentenone
    • cyclopent-2-en-1-one
    • Cyclopent-2-enone
    • Cyclopentenone
    • Cyclopenten-3-one
    • MFCD00001401
    • 2-Cyclopentene-1-one
    • cyclopent-2-ene-1-one
    • 28982-58-3
    • 3-Cyclopenten-2-one
    • Q0U2IGF9CK
    • NSC-73117
    • Cyclopenten-2-one
    • UNII-Q0U2IGF9CK
    • Cyclopenten-3-one (VAN)
    • 1-CYCLOPENTEN-3-ONE
    • cis-cyclopentenone
    • DTXSID60870802
    • 1-Cyclopenten-3-one; 1-Cyclopenten-5-one; 2-Cyclopentenone; Cyclopent-2-en-1-one; Cyclopenten-3-one; NSC 73117
    • EINECS 213-213-0
    • 2-Cyclopentenone-1
    • NSC 73117
    • 2-cylcopenten-1-one
    • 2-cyclopenten-1- one
    • SCHEMBL24628
    • 1-CYCLOPENTEN-5-ONE
    • CHEMBL52190
    • SCHEMBL578582
    • 2-Cyclopenten-1-one, 98%
    • orb2940314
    • SCHEMBL1133117
    • SCHEMBL3843219
    • SCHEMBL6625847
    • SCHEMBL6625852
    • SCHEMBL8893271
    • SCHEMBL11465663
    • CHEBI:141550
    • NSC73117
    • BBL100014
    • STL183308
    • AKOS000121108
    • AKOS025243944
    • CS-W011359
    • HY-W010643
    • PS-9373
    • SB40642
    • DB-031967
    • NS00041822
    • EN300-24545
    • 930C303
    • F049816
    • Q2292678
    • F0001-2242
    • InChI=1/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H
    • 930-30-3

  • Applications

    2-Cyclopenten-1-one (CAS 930-30-3) is primarily used as a chemical intermediate in organic synthesis, notably as a building block for fragrance compounds in perfumery; as a reactive monomer or intermediate for specialty polymers; as a precursor in resin systems for coatings and inks; and in industrial manufacturing as an intermediate for resin systems and formulation chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 588.75
    methanol 951.96
    isopropanol 371.45
    water 66.4
    ethyl acetate 210.44
    n-propanol 353.87
    acetone 376.23
    n-butanol 341.23
    acetonitrile 378.17
    DMF 570.81
    toluene 90.07
    isobutanol 290.93
    1,4-dioxane 308.49
    methyl acetate 260.49
    THF 329.52
    2-butanone 295.57
    n-pentanol 291.69
    sec-butanol 323.05
    n-hexane 52.5
    ethylene glycol 285.52
    NMP 479.25
    cyclohexane 27.75
    DMSO 418.04
    n-butyl acetate 211.26
    n-octanol 246.04
    chloroform 671.07
    n-propyl acetate 203.98
    acetic acid 854.73
    dichloromethane 521.01
    cyclohexanone 287.34
    propylene glycol 275.96
    isopropyl acetate 145.65
    DMAc 478.72
    2-ethoxyethanol 403.65
    isopentanol 327.23
    n-heptane 36.99
    ethyl formate 199.28
    1,2-dichloroethane 234.9
    n-hexanol 288.27
    2-methoxyethanol 543.57
    isobutyl acetate 141.83
    tetrachloromethane 107.0
    n-pentyl acetate 174.52
    transcutol 1591.6
    n-heptanol 183.87
    ethylbenzene 97.58
    MIBK 172.54
    2-propoxyethanol 413.06
    tert-butanol 390.42
    MTBE 242.31
    2-butoxyethanol 315.51
    propionic acid 393.56
    o-xylene 92.11
    formic acid 476.4
    diethyl ether 187.37
    m-xylene 81.42
    p-xylene 132.62
    chlorobenzene 162.23
    dimethyl carbonate 115.42
    n-octane 20.14
    formamide 451.7
    cyclopentanone 351.19
    2-pentanone 219.96
    anisole 230.34
    cyclopentyl methyl ether 171.11
    gamma-butyrolactone 394.27
    1-methoxy-2-propanol 402.68
    pyridine 300.4
    3-pentanone 164.3
    furfural 458.22
    n-dodecane 21.41
    diethylene glycol 398.44
    diisopropyl ether 77.32
    tert-amyl alcohol 363.85
    acetylacetone 222.13
    n-hexadecane 22.11
    acetophenone 248.42
    methyl propionate 182.84
    isopentyl acetate 203.62
    trichloroethylene 507.98
    n-nonanol 193.37
    cyclohexanol 211.73
    benzyl alcohol 233.25
    2-ethylhexanol 184.23
    isooctanol 157.66
    dipropyl ether 136.7
    1,2-dichlorobenzene 175.03
    ethyl lactate 146.69
    propylene carbonate 264.27
    n-methylformamide 374.72
    2-pentanol 254.47
    n-pentane 42.91
    1-propoxy-2-propanol 308.4
    1-methoxy-2-propyl acetate 196.01
    2-(2-methoxypropoxy) propanol 355.28
    mesitylene 57.73
    ε-caprolactone 279.3
    p-cymene 76.01
    epichlorohydrin 358.33
    1,1,1-trichloroethane 243.63
    2-aminoethanol 408.91
    morpholine-4-carbaldehyde 491.2
    sulfolane 423.5
    2,2,4-trimethylpentane 35.6
    2-methyltetrahydrofuran 285.87
    n-hexyl acetate 298.01
    isooctane 26.65
    2-(2-butoxyethoxy)ethanol 464.62
    sec-butyl acetate 144.68
    tert-butyl acetate 167.8
    decalin 33.79
    glycerin 383.14
    diglyme 673.91
    acrylic acid 433.51
    isopropyl myristate 105.8
    n-butyric acid 390.44
    acetyl acetate 153.96
    di(2-ethylhexyl) phthalate 130.85
    ethyl propionate 161.36
    nitromethane 664.44
    1,2-diethoxyethane 303.26
    benzonitrile 249.69
    trioctyl phosphate 90.57
    1-bromopropane 177.19
    gamma-valerolactone 424.07
    n-decanol 141.02
    triethyl phosphate 89.02
    4-methyl-2-pentanol 174.21
    propionitrile 241.44
    vinylene carbonate 277.22
    1,1,2-trichlorotrifluoroethane 466.85
    DMS 212.9
    cumene 90.19
    2-octanol 140.39
    2-hexanone 238.4
    octyl acetate 147.36
    limonene 102.07
    1,2-dimethoxyethane 442.15
    ethyl orthosilicate 90.68
    tributyl phosphate 118.97
    diacetone alcohol 254.18
    N,N-dimethylaniline 189.29
    acrylonitrile 327.97
    aniline 179.19
    1,3-propanediol 392.08
    bromobenzene 144.77
    dibromomethane 334.66
    1,1,2,2-tetrachloroethane 402.23
    2-methyl-cyclohexyl acetate 155.54
    tetrabutyl urea 144.73
    diisobutyl methanol 112.04
    2-phenylethanol 217.17
    styrene 124.75
    dioctyl adipate 162.81
    dimethyl sulfate 172.1
    ethyl butyrate 164.47
    methyl lactate 168.52
    butyl lactate 178.83
    diethyl carbonate 125.34
    propanediol butyl ether 427.07
    triethyl orthoformate 123.01
    p-tert-butyltoluene 68.08
    methyl 4-tert-butylbenzoate 227.44
    morpholine 358.55
    tert-butylamine 284.01
    n-dodecanol 107.13
    dimethoxymethane 246.04
    ethylene carbonate 194.72
    cyrene 239.91
    2-ethoxyethyl acetate 235.39
    2-ethylhexyl acetate 155.45
    1,2,4-trichlorobenzene 223.01
    4-methylpyridine 294.12
    dibutyl ether 186.25
    2,6-dimethyl-4-heptanol 112.04
    DEF 287.42
    dimethyl isosorbide 338.56
    tetrachloroethylene 291.67
    eugenol 282.39
    triacetin 305.44
    span 80 300.24
    1,4-butanediol 246.85
    1,1-dichloroethane 282.48
    2-methyl-1-pentanol 294.69
    methyl formate 265.71
    2-methyl-1-butanol 314.09
    n-decane 32.4
    butyronitrile 249.3
    3,7-dimethyl-1-octanol 215.84
    1-chlorooctane 111.0
    1-chlorotetradecane 47.41
    n-nonane 31.71
    undecane 25.59
    tert-butylcyclohexane 40.79
    cyclooctane 12.84
    cyclopentanol 236.12
    tetrahydropyran 223.14
    tert-amyl methyl ether 199.39
    2,5,8-trioxanonane 487.29
    1-hexene 153.76
    2-isopropoxyethanol 300.26
    2,2,2-trifluoroethanol 308.59
    methyl butyrate 222.42

    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