Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate

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  • Identifiers

    CAS number
    1245725-35-2

    Molecular formula
    C12H22O2

    SMILES
    CCC(=O)OC1C(CCC1C(C)C)C

  • Odor profile

    Fragrance
    Fruity 77.2%
    Herbal 66.69%
    Mint 64.98%
    Floral 57.4%
    Sweet 55.74%
    Cooling 44.35%
    Fresh 44.27%
    Woody 43.35%
    Rose 33.41%
    Balsamic 32.43%

     

    Flavor
    Fruity 60.46%
    Herbal 43.64%
    Tropical 42.51%
    Green 37.25%
    Minty 34.36%
    Sweet 33.43%
    Floral 30.5%
    Fruit 29.66%
    Herb 29.27%
    Berry 28.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.36 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 93.1 ˚C est.

  • Synonyms

    • CYCLOPENTANOL, 2-METHYL-5-(1-METHYLETHYL)-, 1-PROPANOATE
    • 1245725-35-2
    • DTXSID80889279
    • XQSZQCWCVSZOKF-UHFFFAOYSA-N
    • DTXCID201028542

  • Applications

    Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate (CAS 1245725-35-2) is an aliphatic ester that is typically considered for fragrance and cosmetics applications as a scent ingredient and possible fixative; it may also serve as a solvent or processing aid in industrial manufacturing; as an organic synthesis intermediate, it can participate in further transformations; it may be evaluated for use in polymers and plastics as a plasticizer or processing aid; flavor-related applications are plausible within the aroma and flavor domain.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3640.83
    methanol 3416.87
    isopropanol 4281.18
    water 4.09
    ethyl acetate 2143.0
    n-propanol 3054.59
    acetone 2847.62
    n-butanol 2879.63
    acetonitrile 2614.61
    DMF 2056.35
    toluene 1428.31
    isobutanol 2837.71
    1,4-dioxane 3051.47
    methyl acetate 1752.31
    THF 4017.94
    2-butanone 2392.7
    n-pentanol 1949.22
    sec-butanol 3361.86
    n-hexane 386.99
    ethylene glycol 311.81
    NMP 1603.91
    cyclohexane 641.77
    DMSO 1301.61
    n-butyl acetate 2492.33
    n-octanol 1093.46
    chloroform 7912.94
    n-propyl acetate 1481.89
    acetic acid 2035.91
    dichloromethane 5220.19
    cyclohexanone 3479.6
    propylene glycol 641.69
    isopropyl acetate 1726.54
    DMAc 1581.2
    2-ethoxyethanol 1561.01
    isopentanol 2612.61
    n-heptane 194.65
    ethyl formate 1808.73
    1,2-dichloroethane 2576.65
    n-hexanol 2217.7
    2-methoxyethanol 2196.06
    isobutyl acetate 1138.19
    tetrachloromethane 1318.65
    n-pentyl acetate 1456.16
    transcutol 2607.05
    n-heptanol 1046.17
    ethylbenzene 855.17
    MIBK 1308.99
    2-propoxyethanol 2056.61
    tert-butanol 3570.87
    MTBE 3074.06
    2-butoxyethanol 1393.14
    propionic acid 1518.0
    o-xylene 852.95
    formic acid 464.78
    diethyl ether 2148.12
    m-xylene 936.61
    p-xylene 1332.42
    chlorobenzene 2053.99
    dimethyl carbonate 420.45
    n-octane 114.78
    formamide 590.29
    cyclopentanone 2861.36
    2-pentanone 2000.39
    anisole 1233.02
    cyclopentyl methyl ether 1613.88
    gamma-butyrolactone 2803.34
    1-methoxy-2-propanol 1758.68
    pyridine 3169.02
    3-pentanone 1164.24
    furfural 2427.88
    n-dodecane 104.72
    diethylene glycol 1012.85
    diisopropyl ether 705.1
    tert-amyl alcohol 2662.28
    acetylacetone 1673.23
    n-hexadecane 121.07
    acetophenone 1150.94
    methyl propionate 1106.27
    isopentyl acetate 2318.99
    trichloroethylene 4982.15
    n-nonanol 846.86
    cyclohexanol 2462.39
    benzyl alcohol 1193.75
    2-ethylhexanol 1124.44
    isooctanol 871.06
    dipropyl ether 862.77
    1,2-dichlorobenzene 1543.07
    ethyl lactate 520.1
    propylene carbonate 2124.93
    n-methylformamide 1238.15
    2-pentanol 2192.78
    n-pentane 345.76
    1-propoxy-2-propanol 1488.04
    1-methoxy-2-propyl acetate 1296.9
    2-(2-methoxypropoxy) propanol 798.46
    mesitylene 583.52
    ε-caprolactone 2895.41
    p-cymene 526.32
    epichlorohydrin 3192.61
    1,1,1-trichloroethane 3381.71
    2-aminoethanol 930.32
    morpholine-4-carbaldehyde 1899.54
    sulfolane 2113.77
    2,2,4-trimethylpentane 225.46
    2-methyltetrahydrofuran 3260.73
    n-hexyl acetate 1820.88
    isooctane 182.42
    2-(2-butoxyethoxy)ethanol 1129.03
    sec-butyl acetate 1124.3
    tert-butyl acetate 1410.29
    decalin 276.26
    glycerin 586.05
    diglyme 2060.13
    acrylic acid 1029.73
    isopropyl myristate 579.99
    n-butyric acid 2957.2
    acetyl acetate 1233.28
    di(2-ethylhexyl) phthalate 510.96
    ethyl propionate 998.32
    nitromethane 2194.78
    1,2-diethoxyethane 1302.34
    benzonitrile 2108.46
    trioctyl phosphate 390.74
    1-bromopropane 2273.8
    gamma-valerolactone 3326.41
    n-decanol 565.49
    triethyl phosphate 412.87
    4-methyl-2-pentanol 1130.88
    propionitrile 2321.19
    vinylene carbonate 1889.92
    1,1,2-trichlorotrifluoroethane 1772.13
    DMS 852.49
    cumene 575.17
    2-octanol 864.6
    2-hexanone 1558.69
    octyl acetate 743.93
    limonene 727.84
    1,2-dimethoxyethane 2633.96
    ethyl orthosilicate 423.36
    tributyl phosphate 470.84
    diacetone alcohol 1208.87
    N,N-dimethylaniline 751.77
    acrylonitrile 2132.66
    aniline 1493.34
    1,3-propanediol 1543.85
    bromobenzene 2272.85
    dibromomethane 3963.74
    1,1,2,2-tetrachloroethane 4229.01
    2-methyl-cyclohexyl acetate 860.02
    tetrabutyl urea 523.73
    diisobutyl methanol 584.92
    2-phenylethanol 1259.87
    styrene 1033.86
    dioctyl adipate 708.69
    dimethyl sulfate 550.2
    ethyl butyrate 1163.68
    methyl lactate 545.07
    butyl lactate 872.44
    diethyl carbonate 730.62
    propanediol butyl ether 1104.53
    triethyl orthoformate 736.47
    p-tert-butyltoluene 509.53
    methyl 4-tert-butylbenzoate 887.41
    morpholine 3536.85
    tert-butylamine 2376.64
    n-dodecanol 402.4
    dimethoxymethane 1246.54
    ethylene carbonate 1749.0
    cyrene 696.9
    2-ethoxyethyl acetate 1304.75
    2-ethylhexyl acetate 1598.05
    1,2,4-trichlorobenzene 1751.22
    4-methylpyridine 3409.0
    dibutyl ether 987.07
    2,6-dimethyl-4-heptanol 584.92
    DEF 1629.65
    dimethyl isosorbide 1211.1
    tetrachloroethylene 2726.44
    eugenol 854.31
    triacetin 950.0
    span 80 843.34
    1,4-butanediol 750.51
    1,1-dichloroethane 4114.7
    2-methyl-1-pentanol 1844.74
    methyl formate 974.24
    2-methyl-1-butanol 2379.29
    n-decane 181.69
    butyronitrile 2952.78
    3,7-dimethyl-1-octanol 936.61
    1-chlorooctane 695.27
    1-chlorotetradecane 253.95
    n-nonane 180.2
    undecane 131.17
    tert-butylcyclohexane 266.82
    cyclooctane 174.61
    cyclopentanol 2341.27
    tetrahydropyran 3751.82
    tert-amyl methyl ether 1596.14
    2,5,8-trioxanonane 1119.41
    1-hexene 1282.3
    2-isopropoxyethanol 1210.02
    2,2,2-trifluoroethanol 547.44
    methyl butyrate 1681.62

    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