4-Cyclopentene-1,3-Dione

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    930-60-9

    Molecular formula
    C5H4O2

    SMILES
    C1C(=O)C=CC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Caramellic 73.16%
    Sweet 68.88%
    Burnt 60.07%
    Nutty 53.0%
    Buttery 38.35%
    Roasted 34.03%
    Coumarinic 30.43%
    Spicy 29.4%
    Tobacco 28.88%
    Sharp 26.76%

    Scent© AI

  • Properties

    XLogP3-AA
    0.0

    Molecular weight
    96.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point est.
    75.71 ˚C

  • Synonyms

    • 4-Cyclopentene-1,3-dione
    • Cyclopent-4-ene-1,3-dione
    • 930-60-9
    • 2-Cyclopentene-1,4-dione
    • UNII-P054EQ880I
    • P054EQ880I
    • EINECS 213-219-3
    • 2-Cyclopenten-1,4-dione
    • 4-cyclopenten-1,3-dione
    • NSC 155336
    • NSC-155336
    • Cyclopent-2-en-1,4-dione
    • Cyclopent-2-ene-1,4-dione
    • DTXSID80239235
    • NSC155336
    • 4-Cyclopentene-1,3-dione #
    • BDBM7811
    • CHEMBL224231
    • DTXCID00161726
    • AKOS015916278
    • AS-58342
    • 4-CYCLOPENTENE-1,3-DIONE, 95%
    • CS-0204257
    • NS00039521
    • EN300-68153
    • G77214
    • Q27285950
    • Z1083219844

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.46
    methanol 347.85
    isopropanol 131.61
    water 129.93
    ethyl acetate 74.89
    n-propanol 113.54
    acetone 237.06
    n-butanol 85.56
    acetonitrile 219.99
    DMF 549.66
    toluene 12.61
    isobutanol 90.31
    1,4-dioxane 162.05
    methyl acetate 137.59
    THF 163.45
    2-butanone 134.38
    n-pentanol 75.11
    sec-butanol 94.89
    n-hexane 5.54
    ethylene glycol 186.12
    NMP 408.34
    cyclohexane 3.11
    DMSO 317.68
    n-butyl acetate 34.55
    n-octanol 48.56
    chloroform 68.14
    n-propyl acetate 60.28
    acetic acid 220.06
    dichloromethane 66.57
    cyclohexanone 84.27
    propylene glycol 172.35
    isopropyl acetate 46.31
    DMAc 584.37
    2-ethoxyethanol 216.52
    isopentanol 79.7
    n-heptane 4.83
    ethyl formate 78.44
    1,2-dichloroethane 41.9
    n-hexanol 48.66
    2-methoxyethanol 318.65
    isobutyl acetate 40.72
    tetrachloromethane 12.92
    n-pentyl acetate 29.84
    transcutol 424.8
    n-heptanol 30.82
    ethylbenzene 15.84
    MIBK 58.23
    2-propoxyethanol 147.01
    tert-butanol 145.96
    MTBE 75.9
    2-butoxyethanol 86.73
    propionic acid 124.69
    o-xylene 19.93
    formic acid 210.74
    diethyl ether 64.48
    m-xylene 15.66
    p-xylene 23.62
    chlorobenzene 19.72
    dimethyl carbonate 84.32
    n-octane 2.5
    formamide 270.5
    cyclopentanone 135.85
    2-pentanone 79.39
    anisole 85.43
    cyclopentyl methyl ether 65.27
    gamma-butyrolactone 166.05
    1-methoxy-2-propanol 222.26
    pyridine 73.71
    3-pentanone 68.86
    furfural 172.23
    n-dodecane 3.81
    diethylene glycol 204.59
    diisopropyl ether 21.69
    tert-amyl alcohol 112.58
    acetylacetone 104.85
    n-hexadecane 3.95
    acetophenone 81.68
    methyl propionate 98.24
    isopentyl acetate 34.72
    trichloroethylene 77.77
    n-nonanol 42.91
    cyclohexanol 50.47
    benzyl alcohol 74.0
    2-ethylhexanol 30.75
    isooctanol 28.11
    dipropyl ether 35.08
    1,2-dichlorobenzene 25.33
    ethyl lactate 68.34
    propylene carbonate 89.08
    n-methylformamide 268.07
    2-pentanol 57.74
    n-pentane 4.87
    1-propoxy-2-propanol 93.18
    1-methoxy-2-propyl acetate 67.02
    2-(2-methoxypropoxy) propanol 135.66
    mesitylene 12.72
    ε-caprolactone 89.32
    p-cymene 14.18
    epichlorohydrin 140.36
    1,1,1-trichloroethane 41.61
    2-aminoethanol 205.95
    morpholine-4-carbaldehyde 340.05
    sulfolane 176.45
    2,2,4-trimethylpentane 4.94
    2-methyltetrahydrofuran 100.99
    n-hexyl acetate 57.71
    isooctane 3.7
    2-(2-butoxyethoxy)ethanol 153.2
    sec-butyl acetate 41.47
    tert-butyl acetate 51.01
    decalin 5.48
    glycerin 241.12
    diglyme 249.85
    acrylic acid 144.06
    isopropyl myristate 26.81
    n-butyric acid 86.83
    acetyl acetate 56.58
    di(2-ethylhexyl) phthalate 33.5
    ethyl propionate 63.69
    nitromethane 361.81
    1,2-diethoxyethane 72.58
    benzonitrile 60.35
    trioctyl phosphate 23.41
    1-bromopropane 22.31
    gamma-valerolactone 206.58
    n-decanol 33.12
    triethyl phosphate 31.71
    4-methyl-2-pentanol 42.65
    propionitrile 105.55
    vinylene carbonate 86.11
    1,1,2-trichlorotrifluoroethane 159.17
    DMS 67.78
    cumene 16.82
    2-octanol 23.55
    2-hexanone 74.04
    octyl acetate 34.63
    limonene 19.09
    1,2-dimethoxyethane 255.18
    ethyl orthosilicate 29.04
    tributyl phosphate 29.16
    diacetone alcohol 102.42
    N,N-dimethylaniline 76.3
    acrylonitrile 136.12
    aniline 44.29
    1,3-propanediol 167.79
    bromobenzene 13.31
    dibromomethane 32.92
    1,1,2,2-tetrachloroethane 62.11
    2-methyl-cyclohexyl acetate 39.93
    tetrabutyl urea 46.36
    diisobutyl methanol 22.16
    2-phenylethanol 49.14
    styrene 18.7
    dioctyl adipate 44.33
    dimethyl sulfate 129.89
    ethyl butyrate 39.37
    methyl lactate 112.88
    butyl lactate 43.95
    diethyl carbonate 34.55
    propanediol butyl ether 125.27
    triethyl orthoformate 33.72
    p-tert-butyltoluene 13.6
    methyl 4-tert-butylbenzoate 72.35
    morpholine 189.9
    tert-butylamine 79.52
    n-dodecanol 26.1
    dimethoxymethane 210.33
    ethylene carbonate 65.57
    cyrene 129.32
    2-ethoxyethyl acetate 54.97
    2-ethylhexyl acetate 26.35
    1,2,4-trichlorobenzene 40.4
    4-methylpyridine 77.75
    dibutyl ether 36.41
    2,6-dimethyl-4-heptanol 22.16
    DEF 143.55
    dimethyl isosorbide 138.5
    tetrachloroethylene 37.74
    eugenol 84.78
    triacetin 91.64
    span 80 83.97
    1,4-butanediol 103.49
    1,1-dichloroethane 45.36
    2-methyl-1-pentanol 68.16
    methyl formate 188.16
    2-methyl-1-butanol 77.65
    n-decane 5.39
    butyronitrile 72.05
    3,7-dimethyl-1-octanol 44.8
    1-chlorooctane 17.92
    1-chlorotetradecane 9.46
    n-nonane 4.7
    undecane 4.41
    tert-butylcyclohexane 6.39
    cyclooctane 1.69
    cyclopentanol 72.36
    tetrahydropyran 71.53
    tert-amyl methyl ether 63.73
    2,5,8-trioxanonane 188.02
    1-hexene 18.27
    2-isopropoxyethanol 134.63
    2,2,2-trifluoroethanol 132.08
    methyl butyrate 78.23

    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

Botanical

Name CAS Botanical Proportion
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%