2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    53263-56-2

    Molecular formula
    C8H12O2

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

  • Odor profile

    Fragrance
    Sweet 78.94%
    Caramellic 66.48%
    Burnt 46.37%
    Tobacco 39.52%
    Phenolic 38.44%
    Woody 37.24%
    Tea 31.12%
    Camphoreous 31.02%
    Mint 30.31%
    Musty 29.85%

     

    Flavor
    Sweet 70.91%
    Tobacco 60.66%
    Woody 60.42%
    Phenolic 50.02%
    Caramel 48.81%
    Dry 40.69%
    Powdery 39.17%
    Spicy 38.63%
    Smoky 38.28%
    Musty 37.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.56 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 94.13 ˚C est.

  • Synonyms

    • 2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one
    • 2-Cyclopenten-1-one, 2-hydroxy-3,5,5-trimethyl
    • 53263-56-2
    • SCHEMBL20269352
    • JLMOFSIIXFOYRP-UHFFFAOYSA-N
    • DTXSID401251581

  • Applications

    2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one (CAS 53263-56-2) is primarily used as a fragrance intermediate and odorant. In perfumery it serves as a building block for aroma materials and can act as a fixative in formulations; in cosmetics/personal care it is used as a fragrance ingredient; in household products such as cleaners and room fragrances it contributes characteristic scent notes. It may also be used as an intermediate in industrial manufacturing to synthesize other fragrance compounds, and at approved levels can appear in flavor/aroma applications and in coatings/inks as a fragrance additive. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1616.64
    methanol 2672.37
    isopropanol 961.64
    water 117.34
    ethyl acetate 659.01
    n-propanol 903.97
    acetone 738.78
    n-butanol 748.96
    acetonitrile 957.98
    DMF 751.08
    toluene 161.65
    isobutanol 608.33
    1,4-dioxane 1219.61
    methyl acetate 588.46
    THF 1316.19
    2-butanone 475.18
    n-pentanol 449.29
    sec-butanol 637.05
    n-hexane 65.65
    ethylene glycol 477.73
    NMP 523.8
    cyclohexane 66.05
    DMSO 516.62
    n-butyl acetate 335.65
    n-octanol 277.38
    chloroform 1130.37
    n-propyl acetate 299.15
    acetic acid 1449.15
    dichloromethane 896.16
    cyclohexanone 478.03
    propylene glycol 395.33
    isopropyl acetate 389.74
    DMAc 345.55
    2-ethoxyethanol 792.95
    isopentanol 530.53
    n-heptane 54.93
    ethyl formate 535.16
    1,2-dichloroethane 494.94
    n-hexanol 506.37
    2-methoxyethanol 1446.4
    isobutyl acetate 185.96
    tetrachloromethane 274.16
    n-pentyl acetate 229.35
    transcutol 1167.4
    n-heptanol 274.12
    ethylbenzene 114.13
    MIBK 346.44
    2-propoxyethanol 838.13
    tert-butanol 840.25
    MTBE 525.23
    2-butoxyethanol 433.55
    propionic acid 611.0
    o-xylene 132.43
    formic acid 1356.97
    diethyl ether 721.32
    m-xylene 177.24
    p-xylene 156.39
    chlorobenzene 230.04
    dimethyl carbonate 232.98
    n-octane 26.34
    formamide 1311.04
    cyclopentanone 620.76
    2-pentanone 484.13
    anisole 276.41
    cyclopentyl methyl ether 513.14
    gamma-butyrolactone 877.06
    1-methoxy-2-propanol 905.06
    pyridine 442.61
    3-pentanone 288.06
    furfural 661.28
    n-dodecane 19.4
    diethylene glycol 689.33
    diisopropyl ether 236.12
    tert-amyl alcohol 584.66
    acetylacetone 464.94
    n-hexadecane 20.89
    acetophenone 221.01
    methyl propionate 414.05
    isopentyl acetate 308.73
    trichloroethylene 859.16
    n-nonanol 224.16
    cyclohexanol 406.8
    benzyl alcohol 235.08
    2-ethylhexanol 239.98
    isooctanol 209.89
    dipropyl ether 238.18
    1,2-dichlorobenzene 234.13
    ethyl lactate 166.68
    propylene carbonate 468.0
    n-methylformamide 887.53
    2-pentanol 514.0
    n-pentane 84.86
    1-propoxy-2-propanol 462.39
    1-methoxy-2-propyl acetate 353.85
    2-(2-methoxypropoxy) propanol 264.79
    mesitylene 122.96
    ε-caprolactone 491.65
    p-cymene 94.52
    epichlorohydrin 907.37
    1,1,1-trichloroethane 548.02
    2-aminoethanol 769.49
    morpholine-4-carbaldehyde 674.75
    sulfolane 606.55
    2,2,4-trimethylpentane 49.42
    2-methyltetrahydrofuran 742.45
    n-hexyl acetate 343.88
    isooctane 51.78
    2-(2-butoxyethoxy)ethanol 419.84
    sec-butyl acetate 207.68
    tert-butyl acetate 421.99
    decalin 41.64
    glycerin 515.61
    diglyme 666.36
    acrylic acid 542.17
    isopropyl myristate 115.56
    n-butyric acid 733.52
    acetyl acetate 372.95
    di(2-ethylhexyl) phthalate 111.23
    ethyl propionate 258.78
    nitromethane 1509.22
    1,2-diethoxyethane 378.74
    benzonitrile 274.64
    trioctyl phosphate 95.55
    1-bromopropane 303.33
    gamma-valerolactone 857.15
    n-decanol 153.27
    triethyl phosphate 104.3
    4-methyl-2-pentanol 310.35
    propionitrile 533.81
    vinylene carbonate 440.85
    1,1,2-trichlorotrifluoroethane 565.31
    DMS 245.4
    cumene 102.72
    2-octanol 196.31
    2-hexanone 269.79
    octyl acetate 150.66
    limonene 129.16
    1,2-dimethoxyethane 820.45
    ethyl orthosilicate 110.35
    tributyl phosphate 110.46
    diacetone alcohol 451.83
    N,N-dimethylaniline 181.04
    acrylonitrile 576.41
    aniline 256.96
    1,3-propanediol 965.43
    bromobenzene 205.98
    dibromomethane 566.16
    1,1,2,2-tetrachloroethane 641.31
    2-methyl-cyclohexyl acetate 180.99
    tetrabutyl urea 117.76
    diisobutyl methanol 157.72
    2-phenylethanol 280.54
    styrene 119.98
    dioctyl adipate 137.79
    dimethyl sulfate 267.82
    ethyl butyrate 225.0
    methyl lactate 243.23
    butyl lactate 190.06
    diethyl carbonate 148.69
    propanediol butyl ether 378.29
    triethyl orthoformate 160.77
    p-tert-butyltoluene 102.11
    methyl 4-tert-butylbenzoate 236.11
    morpholine 1173.25
    tert-butylamine 545.05
    n-dodecanol 108.5
    dimethoxymethane 779.55
    ethylene carbonate 375.51
    cyrene 232.8
    2-ethoxyethyl acetate 303.84
    2-ethylhexyl acetate 214.71
    1,2,4-trichlorobenzene 253.41
    4-methylpyridine 386.23
    dibutyl ether 184.69
    2,6-dimethyl-4-heptanol 157.72
    DEF 395.3
    dimethyl isosorbide 398.68
    tetrachloroethylene 552.19
    eugenol 232.58
    triacetin 225.84
    span 80 223.97
    1,4-butanediol 356.17
    1,1-dichloroethane 610.18
    2-methyl-1-pentanol 331.85
    methyl formate 782.29
    2-methyl-1-butanol 463.78
    n-decane 35.67
    butyronitrile 542.98
    3,7-dimethyl-1-octanol 226.54
    1-chlorooctane 127.82
    1-chlorotetradecane 45.88
    n-nonane 36.04
    undecane 25.04
    tert-butylcyclohexane 48.42
    cyclooctane 31.95
    cyclopentanol 485.8
    tetrahydropyran 749.05
    tert-amyl methyl ether 347.46
    2,5,8-trioxanonane 408.12
    1-hexene 175.56
    2-isopropoxyethanol 467.33
    2,2,2-trifluoroethanol 601.27
    methyl butyrate 307.79

    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