1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one

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  • Identifiers

    CAS number
    13144-88-2

    Molecular formula
    C12H20O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 83.04%
    Floral 59.05%
    Sweet 55.12%
    Fruity 54.54%
    Powdery 49.85%
    Orris 48.55%
    Musk 48.36%
    Dry 48.31%
    Tobacco 46.33%
    Amber 44.92%

     

    Flavor
    Woody 76.35%
    Camphor 49.41%
    Herbal 46.51%
    Sweet 44.98%
    Dry 37.76%
    Earthy 36.3%
    Tobacco 35.77%
    Orris 32.25%
    Musty 31.76%
    Green 30.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 89.67 ˚C est.

  • Synonyms

    • 1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one
    • RefChem:592429
    • 236-080-0
    • 13144-88-2
    • Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-
    • 1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone
    • 1-(2,4,4,5,5-pentamethylcyclopent-1-en-1-yl)ethan-1-one
    • 1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene
    • 2-Acetyl-1,3,3,4,4-pentamethylcyclopentene
    • EINECS 236-080-0
    • 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanone; Methyl 2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl Ketone
    • SCHEMBL445093
    • DTXSID9065362
    • LLCMOZBDJDCWLT-UHFFFAOYSA-N
    • DB-286905
    • NS00013102
    • 13144-88-2

  • Applications

    1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one (CAS 13144-88-2) is typically used as a specialty fragrance ingredient and as an intermediate in aroma-chemical synthesis. In perfumery it may serve as a distinctive note or as a stabilizing or fixative component to extend fragrance lifetimes. In cosmetics and personal care formulations it is often evaluated as a scent ingredient, contributing to products such as lotions, shampoos, and other personal care items. It can also be used in household and cleaning products as a fragrance additive to impart characteristic aroma profiles. In industrial manufacturing contexts, it is regarded as a niche intermediate for the synthesis of aroma compounds and related specialty chemicals, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1558.54
    methanol 2213.79
    isopropanol 1447.35
    water 37.29
    ethyl acetate 1470.19
    n-propanol 1646.41
    acetone 1805.75
    n-butanol 1302.66
    acetonitrile 2755.17
    DMF 2376.85
    toluene 1741.04
    isobutanol 1215.47
    1,4-dioxane 3270.88
    methyl acetate 1524.0
    THF 4755.48
    2-butanone 1619.88
    n-pentanol 733.4
    sec-butanol 1256.85
    n-hexane 521.86
    ethylene glycol 412.37
    NMP 1797.24
    cyclohexane 881.98
    DMSO 980.14
    n-butyl acetate 912.0
    n-octanol 638.7
    chloroform 4000.34
    n-propyl acetate 738.62
    acetic acid 947.37
    dichloromethane 3283.69
    cyclohexanone 2284.81
    propylene glycol 458.61
    isopropyl acetate 1062.29
    DMAc 1204.99
    2-ethoxyethanol 900.71
    isopentanol 953.32
    n-heptane 313.16
    ethyl formate 907.98
    1,2-dichloroethane 2052.25
    n-hexanol 1325.78
    2-methoxyethanol 1733.36
    isobutyl acetate 516.59
    tetrachloromethane 1255.78
    n-pentyl acetate 660.93
    transcutol 1233.52
    n-heptanol 638.49
    ethylbenzene 835.45
    MIBK 892.83
    2-propoxyethanol 1664.48
    tert-butanol 1531.24
    MTBE 1536.4
    2-butoxyethanol 788.83
    propionic acid 990.47
    o-xylene 943.5
    formic acid 549.74
    diethyl ether 1899.95
    m-xylene 1276.87
    p-xylene 1050.8
    chlorobenzene 1432.32
    dimethyl carbonate 682.48
    n-octane 148.55
    formamide 760.93
    cyclopentanone 2833.68
    2-pentanone 1407.58
    anisole 1140.42
    cyclopentyl methyl ether 2520.49
    gamma-butyrolactone 2898.05
    1-methoxy-2-propanol 1449.51
    pyridine 2052.22
    3-pentanone 1146.04
    furfural 1813.88
    n-dodecane 96.73
    diethylene glycol 977.36
    diisopropyl ether 734.85
    tert-amyl alcohol 1142.59
    acetylacetone 1231.58
    n-hexadecane 111.7
    acetophenone 792.22
    methyl propionate 1255.6
    isopentyl acetate 806.49
    trichloroethylene 3047.6
    n-nonanol 527.01
    cyclohexanol 1554.96
    benzyl alcohol 713.98
    2-ethylhexanol 692.76
    isooctanol 474.04
    dipropyl ether 848.99
    1,2-dichlorobenzene 1130.91
    ethyl lactate 352.26
    propylene carbonate 1229.16
    n-methylformamide 1578.69
    2-pentanol 1021.31
    n-pentane 513.7
    1-propoxy-2-propanol 1017.17
    1-methoxy-2-propyl acetate 917.52
    2-(2-methoxypropoxy) propanol 475.99
    mesitylene 792.42
    ε-caprolactone 1681.01
    p-cymene 436.68
    epichlorohydrin 2829.13
    1,1,1-trichloroethane 2436.38
    2-aminoethanol 732.88
    morpholine-4-carbaldehyde 1820.49
    sulfolane 2084.24
    2,2,4-trimethylpentane 210.1
    2-methyltetrahydrofuran 3112.44
    n-hexyl acetate 1009.5
    isooctane 187.83
    2-(2-butoxyethoxy)ethanol 687.86
    sec-butyl acetate 586.27
    tert-butyl acetate 1049.26
    decalin 322.25
    glycerin 561.02
    diglyme 1232.62
    acrylic acid 792.58
    isopropyl myristate 357.76
    n-butyric acid 1142.82
    acetyl acetate 881.8
    di(2-ethylhexyl) phthalate 262.6
    ethyl propionate 770.64
    nitromethane 1901.46
    1,2-diethoxyethane 737.5
    benzonitrile 1071.7
    trioctyl phosphate 232.62
    1-bromopropane 1649.55
    gamma-valerolactone 2636.57
    n-decanol 368.36
    triethyl phosphate 289.44
    4-methyl-2-pentanol 609.38
    propionitrile 2215.37
    vinylene carbonate 1137.52
    1,1,2-trichlorotrifluoroethane 1160.92
    DMS 746.43
    cumene 540.69
    2-octanol 493.25
    2-hexanone 809.02
    octyl acetate 432.63
    limonene 573.19
    1,2-dimethoxyethane 1471.71
    ethyl orthosilicate 301.05
    tributyl phosphate 259.2
    diacetone alcohol 915.83
    N,N-dimethylaniline 752.69
    acrylonitrile 2142.36
    aniline 1231.81
    1,3-propanediol 949.9
    bromobenzene 1502.19
    dibromomethane 2307.96
    1,1,2,2-tetrachloroethane 2359.3
    2-methyl-cyclohexyl acetate 523.89
    tetrabutyl urea 318.09
    diisobutyl methanol 363.88
    2-phenylethanol 890.83
    styrene 862.49
    dioctyl adipate 351.81
    dimethyl sulfate 833.27
    ethyl butyrate 627.37
    methyl lactate 538.95
    butyl lactate 401.22
    diethyl carbonate 405.07
    propanediol butyl ether 531.37
    triethyl orthoformate 447.11
    p-tert-butyltoluene 481.67
    methyl 4-tert-butylbenzoate 649.38
    morpholine 3303.41
    tert-butylamine 1178.03
    n-dodecanol 268.8
    dimethoxymethane 1896.4
    ethylene carbonate 1022.17
    cyrene 490.39
    2-ethoxyethyl acetate 703.26
    2-ethylhexyl acetate 665.34
    1,2,4-trichlorobenzene 1143.8
    4-methylpyridine 2158.44
    dibutyl ether 571.59
    2,6-dimethyl-4-heptanol 363.88
    DEF 1187.64
    dimethyl isosorbide 902.68
    tetrachloroethylene 1777.89
    eugenol 570.19
    triacetin 489.54
    span 80 460.02
    1,4-butanediol 367.43
    1,1-dichloroethane 2458.9
    2-methyl-1-pentanol 578.91
    methyl formate 1243.34
    2-methyl-1-butanol 990.0
    n-decane 185.22
    butyronitrile 1791.04
    3,7-dimethyl-1-octanol 501.54
    1-chlorooctane 553.25
    1-chlorotetradecane 198.34
    n-nonane 191.44
    undecane 129.38
    tert-butylcyclohexane 293.81
    cyclooctane 347.97
    cyclopentanol 1681.76
    tetrahydropyran 3366.68
    tert-amyl methyl ether 1149.97
    2,5,8-trioxanonane 729.87
    1-hexene 1018.03
    2-isopropoxyethanol 631.3
    2,2,2-trifluoroethanol 557.68
    methyl butyrate 833.11

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.88 %
Category 2
Products applied to the axillae
 0.023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.88 %
Category 3
Products applied to the face/body using fingertips
 0.46 % Category 8
Products with significant anogenital exposure
 0.045 %
Category 4
Products related to fine fragrance
 0.43 % Category 9
Products with body and hand exposure, primarily rinse off
 0.84 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.11 % Category 10A
Household care products with mostly hand contact
 3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.11 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.11 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.7 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.7 %
Category 6
Products with oral and lip exposure
 0.25 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction