4,4-Dimethyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    22748-16-9

    Molecular formula
    C7H10O

    SMILES
    CC1(CC(=O)C=C1)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Mint 69.5%
    Woody 56.47%
    Tobacco 56.26%
    Sweet 53.13%
    Camphoreous 51.71%
    Herbal 47.19%
    Fruity 40.32%
    Green 35.67%
    Hay 35.48%
    Spicy 34.87%

     

    Flavor
    Sweet 61.88%
    Tobacco 58.39%
    Fruity 58.34%
    Woody 57.38%
    Minty 46.81%
    Phenolic 44.59%
    Camphor 35.86%
    Herbal 35.63%
    Spicy 31.32%
    Musty 31.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.23 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 52.79 ˚C est.

  • Synonyms

    • 4,4-Dimethyl-2-cyclopenten-1-one
    • 22748-16-9
    • 4,4-dimethylcyclopent-2-en-1-one
    • DTXSID60177287
    • RefChem:96358
    • DTXCID6099778
    • 624-895-8
    • YVFVCSCZJJGBAK-UHFFFAOYSA-N
    • 4,4-dimethylcyclopent-2-enone
    • MFCD00075081
    • 4,4-dimethyl-2-cyclopentenone
    • 2-Cyclopenten-1-one, 4,4-dimethyl-
    • 4,4-dimethylcyclopentenone
    • SCHEMBL1536047
    • 4,4-dimethyl-2-cyclopentene-1-one
    • 4,4-dimethyl-cyclopent-2-en-1-one
    • AKOS016006808
    • EBC-618114
    • ES-2008
    • HY-W024604
    • s10959
    • DA-49661
    • PD167326
    • 4,4-Dimethyl-2-cyclopenten-1-one, 99%
    • CS-0061115
    • EN300-119490
    • 748D169
    • 22748-16-9

  • Applications

    4,4-Dimethyl-2-cyclopenten-1-one, CAS 22748-16-9, is used as a fragrance intermediate and odorant in the perfumery sector, often acting as a fragrance note and, in some formulations, as a fixative; it also serves as a building block for the synthesis of other aroma compounds used in cosmetics and personal care; it finds application in household products and cleaners as a scent ingredient; and is considered an industrial intermediate for producing related fragrance chemicals or for use in applications involving coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 277.85
    methanol 338.33
    isopropanol 254.81
    water 26.39
    ethyl acetate 274.37
    n-propanol 236.93
    acetone 285.86
    n-butanol 199.55
    acetonitrile 264.05
    DMF 324.31
    toluene 79.0
    isobutanol 178.31
    1,4-dioxane 357.06
    methyl acetate 284.53
    THF 402.72
    2-butanone 234.45
    n-pentanol 120.25
    sec-butanol 242.27
    n-hexane 54.18
    ethylene glycol 146.78
    NMP 367.35
    cyclohexane 54.09
    DMSO 184.58
    n-butyl acetate 170.1
    n-octanol 191.07
    chloroform 613.34
    n-propyl acetate 139.07
    acetic acid 493.42
    dichloromethane 345.23
    cyclohexanone 245.14
    propylene glycol 244.99
    isopropyl acetate 190.08
    DMAc 316.84
    2-ethoxyethanol 193.28
    isopentanol 158.48
    n-heptane 50.98
    ethyl formate 140.37
    1,2-dichloroethane 184.71
    n-hexanol 259.84
    2-methoxyethanol 343.95
    isobutyl acetate 102.59
    tetrachloromethane 108.15
    n-pentyl acetate 116.67
    transcutol 709.79
    n-heptanol 146.08
    ethylbenzene 81.09
    MIBK 145.33
    2-propoxyethanol 369.94
    tert-butanol 317.82
    MTBE 206.08
    2-butoxyethanol 216.67
    propionic acid 314.91
    o-xylene 86.15
    formic acid 216.34
    diethyl ether 188.09
    m-xylene 93.4
    p-xylene 111.91
    chlorobenzene 144.32
    dimethyl carbonate 142.5
    n-octane 24.65
    formamide 200.46
    cyclopentanone 297.21
    2-pentanone 191.99
    anisole 181.34
    cyclopentyl methyl ether 210.85
    gamma-butyrolactone 360.19
    1-methoxy-2-propanol 347.76
    pyridine 194.63
    3-pentanone 167.58
    furfural 302.35
    n-dodecane 24.89
    diethylene glycol 290.55
    diisopropyl ether 98.67
    tert-amyl alcohol 273.93
    acetylacetone 252.62
    n-hexadecane 26.03
    acetophenone 157.15
    methyl propionate 232.91
    isopentyl acetate 167.22
    trichloroethylene 397.51
    n-nonanol 159.45
    cyclohexanol 181.93
    benzyl alcohol 126.25
    2-ethylhexanol 152.64
    isooctanol 115.36
    dipropyl ether 144.61
    1,2-dichlorobenzene 160.58
    ethyl lactate 126.53
    propylene carbonate 268.03
    n-methylformamide 207.66
    2-pentanol 183.47
    n-pentane 51.29
    1-propoxy-2-propanol 277.82
    1-methoxy-2-propyl acetate 229.25
    2-(2-methoxypropoxy) propanol 253.91
    mesitylene 75.91
    ε-caprolactone 260.7
    p-cymene 72.01
    epichlorohydrin 304.06
    1,1,1-trichloroethane 290.93
    2-aminoethanol 242.31
    morpholine-4-carbaldehyde 359.35
    sulfolane 349.96
    2,2,4-trimethylpentane 39.96
    2-methyltetrahydrofuran 304.28
    n-hexyl acetate 238.05
    isooctane 33.23
    2-(2-butoxyethoxy)ethanol 313.85
    sec-butyl acetate 121.74
    tert-butyl acetate 212.33
    decalin 41.82
    glycerin 290.21
    diglyme 409.84
    acrylic acid 310.2
    isopropyl myristate 108.72
    n-butyric acid 296.63
    acetyl acetate 228.07
    di(2-ethylhexyl) phthalate 101.11
    ethyl propionate 167.02
    nitromethane 475.01
    1,2-diethoxyethane 180.36
    benzonitrile 143.51
    trioctyl phosphate 79.36
    1-bromopropane 145.32
    gamma-valerolactone 363.06
    n-decanol 122.46
    triethyl phosphate 85.86
    4-methyl-2-pentanol 129.8
    propionitrile 194.21
    vinylene carbonate 232.75
    1,1,2-trichlorotrifluoroethane 352.4
    DMS 203.11
    cumene 73.05
    2-octanol 114.08
    2-hexanone 134.37
    octyl acetate 138.46
    limonene 102.16
    1,2-dimethoxyethane 245.26
    ethyl orthosilicate 83.54
    tributyl phosphate 97.6
    diacetone alcohol 267.06
    N,N-dimethylaniline 128.96
    acrylonitrile 216.38
    aniline 139.3
    1,3-propanediol 238.03
    bromobenzene 129.3
    dibromomethane 244.7
    1,1,2,2-tetrachloroethane 367.55
    2-methyl-cyclohexyl acetate 140.32
    tetrabutyl urea 112.41
    diisobutyl methanol 98.58
    2-phenylethanol 174.4
    styrene 83.75
    dioctyl adipate 134.13
    dimethyl sulfate 181.95
    ethyl butyrate 140.67
    methyl lactate 197.16
    butyl lactate 141.12
    diethyl carbonate 114.0
    propanediol butyl ether 268.36
    triethyl orthoformate 112.42
    p-tert-butyltoluene 76.79
    methyl 4-tert-butylbenzoate 201.58
    morpholine 360.6
    tert-butylamine 217.37
    n-dodecanol 97.66
    dimethoxymethane 229.43
    ethylene carbonate 188.63
    cyrene 189.82
    2-ethoxyethyl acetate 159.27
    2-ethylhexyl acetate 129.51
    1,2,4-trichlorobenzene 191.94
    4-methylpyridine 184.06
    dibutyl ether 131.6
    2,6-dimethyl-4-heptanol 98.58
    DEF 202.2
    dimethyl isosorbide 310.91
    tetrachloroethylene 221.35
    eugenol 198.4
    triacetin 238.97
    span 80 262.29
    1,4-butanediol 101.71
    1,1-dichloroethane 277.36
    2-methyl-1-pentanol 111.97
    methyl formate 170.3
    2-methyl-1-butanol 164.63
    n-decane 36.22
    butyronitrile 156.45
    3,7-dimethyl-1-octanol 174.84
    1-chlorooctane 100.83
    1-chlorotetradecane 49.95
    n-nonane 36.01
    undecane 29.25
    tert-butylcyclohexane 46.56
    cyclooctane 27.76
    cyclopentanol 212.42
    tetrahydropyran 261.61
    tert-amyl methyl ether 177.38
    2,5,8-trioxanonane 305.32
    1-hexene 105.54
    2-isopropoxyethanol 162.08
    2,2,2-trifluoroethanol 266.15
    methyl butyrate 168.98

    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