[(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid

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  • Identifiers

    CAS number
    24268-17-5

    Molecular formula
    C10H16O3

    SMILES
    C[C@@H]1C(=O)C[C@@H](C1(C)C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Mint 40.8%
    Herbal 35.48%
    Odorless 33.96%
    Cooling 31.84%
    Spicy 31.38%
    Woody 29.48%
    Camphoreous 26.04%
    Tobacco 25.79%
    Dry 23.94%
    Fruity 23.63%

     

    Flavor
    Fruity 29.28%
    Minty 28.65%
    Woody 25.12%
    Odorless 24.32%
    Berry 21.2%
    Stinky 21.0%
    Phenolic 20.99%
    Cedarleaf 20.98%
    Leaves 20.58%
    Roquefort cheese 20.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.24 (neutral)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 145.19 ˚C est.

  • Synonyms

    • 24268-17-5
    • [(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid
    • DTXSID00782617
    • 24268-17-5

  • Applications

    [(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid (CAS 24268-17-5) is commonly used as a pharmaceutical intermediate and a chiral building block, serving as a precursor for drug compounds; it can also act as a precursor in agrochemical synthesis and provide a framework for crop-protection chemicals. In organic synthesis and medicinal chemistry, it is often employed as a scaffold for asymmetric transformations and the development of catalysts; in the field of materials and plastics, it can serve as a precursor to cyclic ketone derivatives and specialty polymer systems; and in academic research, it provides a reference structure for exploring chiral relationships and new synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 362.1
    methanol 569.04
    isopropanol 442.33
    water 60.21
    ethyl acetate 258.51
    n-propanol 286.45
    acetone 541.59
    n-butanol 211.42
    acetonitrile 364.77
    DMF 1063.03
    toluene 51.44
    isobutanol 215.76
    1,4-dioxane 706.68
    methyl acetate 300.72
    THF 1012.22
    2-butanone 288.73
    n-pentanol 113.42
    sec-butanol 229.15
    n-hexane 3.46
    ethylene glycol 244.37
    NMP 572.24
    cyclohexane 5.76
    DMSO 653.09
    n-butyl acetate 107.6
    n-octanol 69.21
    chloroform 344.89
    n-propyl acetate 87.74
    acetic acid 291.31
    dichloromethane 380.54
    cyclohexanone 296.5
    propylene glycol 302.9
    isopropyl acetate 157.07
    DMAc 559.43
    2-ethoxyethanol 241.02
    isopentanol 178.77
    n-heptane 4.38
    ethyl formate 232.02
    1,2-dichloroethane 225.09
    n-hexanol 159.97
    2-methoxyethanol 695.22
    isobutyl acetate 59.31
    tetrachloromethane 57.72
    n-pentyl acetate 65.5
    transcutol 325.88
    n-heptanol 85.72
    ethylbenzene 35.03
    MIBK 146.21
    2-propoxyethanol 379.3
    tert-butanol 501.98
    MTBE 143.84
    2-butoxyethanol 172.32
    propionic acid 251.29
    o-xylene 54.0
    formic acid 318.47
    diethyl ether 119.7
    m-xylene 60.0
    p-xylene 63.23
    chlorobenzene 99.86
    dimethyl carbonate 156.53
    n-octane 2.97
    formamide 554.97
    cyclopentanone 585.66
    2-pentanone 210.26
    anisole 137.01
    cyclopentyl methyl ether 195.7
    gamma-butyrolactone 777.22
    1-methoxy-2-propanol 585.75
    pyridine 237.31
    3-pentanone 130.58
    furfural 485.55
    n-dodecane 3.15
    diethylene glycol 404.73
    diisopropyl ether 35.13
    tert-amyl alcohol 245.89
    acetylacetone 340.61
    n-hexadecane 3.49
    acetophenone 122.64
    methyl propionate 235.72
    isopentyl acetate 103.68
    trichloroethylene 376.44
    n-nonanol 62.79
    cyclohexanol 143.39
    benzyl alcohol 132.02
    2-ethylhexanol 67.66
    isooctanol 64.66
    dipropyl ether 51.33
    1,2-dichlorobenzene 102.27
    ethyl lactate 88.7
    propylene carbonate 344.25
    n-methylformamide 605.62
    2-pentanol 133.39
    n-pentane 4.09
    1-propoxy-2-propanol 215.5
    1-methoxy-2-propyl acetate 184.32
    2-(2-methoxypropoxy) propanol 136.08
    mesitylene 37.4
    ε-caprolactone 277.12
    p-cymene 29.54
    epichlorohydrin 649.58
    1,1,1-trichloroethane 204.65
    2-aminoethanol 350.68
    morpholine-4-carbaldehyde 652.38
    sulfolane 651.39
    2,2,4-trimethylpentane 4.46
    2-methyltetrahydrofuran 405.47
    n-hexyl acetate 94.0
    isooctane 4.0
    2-(2-butoxyethoxy)ethanol 176.7
    sec-butyl acetate 65.27
    tert-butyl acetate 161.06
    decalin 5.41
    glycerin 405.44
    diglyme 312.51
    acrylic acid 238.13
    isopropyl myristate 40.22
    n-butyric acid 257.15
    acetyl acetate 183.35
    di(2-ethylhexyl) phthalate 55.96
    ethyl propionate 99.82
    nitromethane 743.73
    1,2-diethoxyethane 101.19
    benzonitrile 137.33
    trioctyl phosphate 44.99
    1-bromopropane 76.76
    gamma-valerolactone 745.4
    n-decanol 47.65
    triethyl phosphate 52.38
    4-methyl-2-pentanol 93.91
    propionitrile 212.75
    vinylene carbonate 293.71
    1,1,2-trichlorotrifluoroethane 361.09
    DMS 120.34
    cumene 30.25
    2-octanol 53.92
    2-hexanone 93.39
    octyl acetate 55.06
    limonene 36.16
    1,2-dimethoxyethane 374.45
    ethyl orthosilicate 45.23
    tributyl phosphate 45.94
    diacetone alcohol 275.57
    N,N-dimethylaniline 86.67
    acrylonitrile 303.44
    aniline 135.88
    1,3-propanediol 414.85
    bromobenzene 80.86
    dibromomethane 180.76
    1,1,2,2-tetrachloroethane 291.64
    2-methyl-cyclohexyl acetate 76.58
    tetrabutyl urea 64.9
    diisobutyl methanol 45.61
    2-phenylethanol 155.8
    styrene 36.07
    dioctyl adipate 59.48
    dimethyl sulfate 286.56
    ethyl butyrate 79.37
    methyl lactate 201.98
    butyl lactate 75.06
    diethyl carbonate 64.06
    propanediol butyl ether 146.75
    triethyl orthoformate 56.96
    p-tert-butyltoluene 31.53
    methyl 4-tert-butylbenzoate 128.83
    morpholine 695.89
    tert-butylamine 183.92
    n-dodecanol 34.83
    dimethoxymethane 475.43
    ethylene carbonate 243.17
    cyrene 198.17
    2-ethoxyethyl acetate 110.26
    2-ethylhexyl acetate 68.9
    1,2,4-trichlorobenzene 128.44
    4-methylpyridine 237.31
    dibutyl ether 36.29
    2,6-dimethyl-4-heptanol 45.61
    DEF 213.25
    dimethyl isosorbide 267.54
    tetrachloroethylene 179.93
    eugenol 132.42
    triacetin 104.0
    span 80 123.91
    1,4-butanediol 140.19
    1,1-dichloroethane 248.2
    2-methyl-1-pentanol 93.8
    methyl formate 543.02
    2-methyl-1-butanol 143.15
    n-decane 4.64
    butyronitrile 189.28
    3,7-dimethyl-1-octanol 64.43
    1-chlorooctane 23.85
    1-chlorotetradecane 10.48
    n-nonane 3.9
    undecane 3.77
    tert-butylcyclohexane 5.71
    cyclooctane 2.52
    cyclopentanol 280.8
    tetrahydropyran 294.43
    tert-amyl methyl ether 92.13
    2,5,8-trioxanonane 217.58
    1-hexene 18.16
    2-isopropoxyethanol 153.15
    2,2,2-trifluoroethanol 250.72
    methyl butyrate 128.67

    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