1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate

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  • Identifiers

    CAS number
    84012-64-6

    Molecular formula
    C17H28O2

    SMILES
    CCC(=O)OCC(C)(C)CC1=C(CCC1C(=C)C)C

  • Odor profile

    Fragrance
    Woody 71.59%
    Sweet 59.0%
    Floral 49.29%
    Powdery 44.14%
    Dry 42.69%
    Amber 38.47%
    Musk 38.25%
    Violet 37.65%
    Orris 36.17%
    Waxy 34.06%

     

    Flavor
    Woody 54.31%
    Floral 49.64%
    Herbal 38.67%
    Green 37.76%
    Fruity 35.22%
    Bergamot 32.66%
    Sweet 31.5%
    Citrus 29.84%
    Wood 29.67%
    Tropical 29.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.78 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 120.64 ˚C est.

  • Synonyms

    • Cyclopentenyl propionate musk
    • 84012-64-6
    • EINECS 281-705-2
    • DTXSID00868783
    • 2-(2,2-Dimethyl-3-propionyl)-1-methyl-3-(methylethenyl)cyclopentene
    • 5-(1-Methylethenyl)-beta,beta,2-trimethyl-1-cyclopentene-1-propanol propanoate
    • 1-Cyclopentene-1-propanol, 5-(1-methylethenyl)-beta,beta,2-trimethyl-, propanoate
    • 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate
    • 1-Cyclopentene-1-propanol, .beta.,.beta.,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate
    • 5-Isopropenyl-beta,beta,2-trimethylcyclopent-1-ene-1-propyl propionate
    • musk cyclopentenyl propionate
    • 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, propanoate
    • SCHEMBL14174472
    • DTXCID60816861
    • RWSDULKUTPNPMB-UHFFFAOYSA-N
    • 1-Cyclopentene-1-propanol, .beta.,.beta.,2-trimethyl-5-(1-methylethenyl)-, propanoate
    • NS00013012

  • Applications

    Chemical name: 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate; CAS number: 84012-64-6. This terpenoid ester is commonly used as a fragrance ingredient and odor fixative in perfumery and cosmetics, contributing to aroma profiles and scent retention. It is also evaluated as an intermediate for the synthesis of other aroma compounds in the fragrance industry. Additionally, its volatility and odor make it a candidate fragrance component in household products such as cleaners and detergents. In industrial manufacturing, it can serve as a precursor for developing more complex terpenoid esters used in specialty aroma formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2548.99
    methanol 1632.57
    isopropanol 3156.8
    water 0.47
    ethyl acetate 2796.39
    n-propanol 2449.85
    acetone 2990.21
    n-butanol 2291.27
    acetonitrile 1468.52
    DMF 2934.32
    toluene 1796.65
    isobutanol 2168.48
    1,4-dioxane 2902.97
    methyl acetate 2118.21
    THF 5176.71
    2-butanone 3384.89
    n-pentanol 1743.83
    sec-butanol 2670.17
    n-hexane 132.7
    ethylene glycol 195.62
    NMP 1407.99
    cyclohexane 186.25
    DMSO 1336.27
    n-butyl acetate 2279.0
    n-octanol 928.76
    chloroform 5138.54
    n-propyl acetate 2007.14
    acetic acid 1000.62
    dichloromethane 4153.45
    cyclohexanone 3143.64
    propylene glycol 667.15
    isopropyl acetate 2335.31
    DMAc 2433.4
    2-ethoxyethanol 1863.54
    isopentanol 2301.97
    n-heptane 84.03
    ethyl formate 1509.9
    1,2-dichloroethane 2305.68
    n-hexanol 1892.54
    2-methoxyethanol 2429.98
    isobutyl acetate 1642.22
    tetrachloromethane 620.2
    n-pentyl acetate 1468.8
    transcutol 3306.48
    n-heptanol 892.23
    ethylbenzene 1110.45
    MIBK 1853.74
    2-propoxyethanol 2306.01
    tert-butanol 3149.67
    MTBE 3457.09
    2-butoxyethanol 1481.15
    propionic acid 1104.0
    o-xylene 998.99
    formic acid 215.66
    diethyl ether 2110.16
    m-xylene 1290.81
    p-xylene 1374.48
    chlorobenzene 1711.03
    dimethyl carbonate 675.38
    n-octane 64.4
    formamide 376.69
    cyclopentanone 3305.89
    2-pentanone 2715.44
    anisole 1960.27
    cyclopentyl methyl ether 2008.12
    gamma-butyrolactone 2698.12
    1-methoxy-2-propanol 2620.87
    pyridine 2570.77
    3-pentanone 1609.23
    furfural 2194.28
    n-dodecane 56.11
    diethylene glycol 1065.13
    diisopropyl ether 772.05
    tert-amyl alcohol 2723.32
    acetylacetone 2332.72
    n-hexadecane 65.96
    acetophenone 1543.22
    methyl propionate 1737.11
    isopentyl acetate 2360.47
    trichloroethylene 4563.03
    n-nonanol 787.67
    cyclohexanol 1718.8
    benzyl alcohol 1460.46
    2-ethylhexanol 1014.66
    isooctanol 801.39
    dipropyl ether 947.49
    1,2-dichlorobenzene 1330.61
    ethyl lactate 795.53
    propylene carbonate 1942.72
    n-methylformamide 1153.85
    2-pentanol 1813.23
    n-pentane 122.13
    1-propoxy-2-propanol 1886.05
    1-methoxy-2-propyl acetate 2013.43
    2-(2-methoxypropoxy) propanol 1175.31
    mesitylene 655.79
    ε-caprolactone 2701.59
    p-cymene 534.2
    epichlorohydrin 3751.42
    1,1,1-trichloroethane 2827.5
    2-aminoethanol 682.21
    morpholine-4-carbaldehyde 2290.88
    sulfolane 1916.99
    2,2,4-trimethylpentane 111.62
    2-methyltetrahydrofuran 3715.94
    n-hexyl acetate 2034.0
    isooctane 118.69
    2-(2-butoxyethoxy)ethanol 1529.09
    sec-butyl acetate 1615.33
    tert-butyl acetate 2208.72
    decalin 148.57
    glycerin 560.49
    diglyme 2518.73
    acrylic acid 683.8
    isopropyl myristate 744.72
    n-butyric acid 2351.07
    acetyl acetate 1387.41
    di(2-ethylhexyl) phthalate 594.9
    ethyl propionate 1512.07
    nitromethane 1624.39
    1,2-diethoxyethane 1824.1
    benzonitrile 1695.66
    trioctyl phosphate 449.2
    1-bromopropane 1829.39
    gamma-valerolactone 3740.6
    n-decanol 552.41
    triethyl phosphate 463.35
    4-methyl-2-pentanol 1152.12
    propionitrile 1706.99
    vinylene carbonate 1636.21
    1,1,2-trichlorotrifluoroethane 1698.59
    DMS 1052.97
    cumene 667.0
    2-octanol 780.88
    2-hexanone 2078.22
    octyl acetate 943.98
    limonene 676.3
    1,2-dimethoxyethane 2800.04
    ethyl orthosilicate 467.63
    tributyl phosphate 542.68
    diacetone alcohol 2017.27
    N,N-dimethylaniline 1089.87
    acrylonitrile 1596.05
    aniline 1573.73
    1,3-propanediol 1356.74
    bromobenzene 1929.52
    dibromomethane 2754.89
    1,1,2,2-tetrachloroethane 3470.84
    2-methyl-cyclohexyl acetate 1070.13
    tetrabutyl urea 622.42
    diisobutyl methanol 595.05
    2-phenylethanol 1480.6
    styrene 1236.35
    dioctyl adipate 907.6
    dimethyl sulfate 716.19
    ethyl butyrate 1384.88
    methyl lactate 800.33
    butyl lactate 1025.18
    diethyl carbonate 808.21
    propanediol butyl ether 1456.04
    triethyl orthoformate 798.86
    p-tert-butyltoluene 531.13
    methyl 4-tert-butylbenzoate 1184.12
    morpholine 3589.86
    tert-butylamine 1875.76
    n-dodecanol 403.55
    dimethoxymethane 2127.42
    ethylene carbonate 1469.6
    cyrene 949.82
    2-ethoxyethyl acetate 1665.46
    2-ethylhexyl acetate 1581.64
    1,2,4-trichlorobenzene 1532.52
    4-methylpyridine 3318.53
    dibutyl ether 989.98
    2,6-dimethyl-4-heptanol 595.05
    DEF 2084.63
    dimethyl isosorbide 1744.6
    tetrachloroethylene 1818.62
    eugenol 1094.32
    triacetin 1297.28
    span 80 1049.55
    1,4-butanediol 689.73
    1,1-dichloroethane 3331.09
    2-methyl-1-pentanol 1660.35
    methyl formate 920.3
    2-methyl-1-butanol 1945.04
    n-decane 103.46
    butyronitrile 2276.69
    3,7-dimethyl-1-octanol 1022.14
    1-chlorooctane 580.48
    1-chlorotetradecane 200.99
    n-nonane 96.15
    undecane 72.48
    tert-butylcyclohexane 168.88
    cyclooctane 65.29
    cyclopentanol 1733.03
    tetrahydropyran 3543.55
    tert-amyl methyl ether 2008.82
    2,5,8-trioxanonane 1564.01
    1-hexene 882.09
    2-isopropoxyethanol 1633.62
    2,2,2-trifluoroethanol 337.91
    methyl butyrate 2155.34

    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