2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one

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  • Identifiers

    CAS number
    95962-14-4

    Molecular formula
    C15H24O

    SMILES
    CC1=CCC(CC1)C(C)CC2CCCC2=O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 78.68%
    Floral 53.91%
    Jasmin 52.52%
    Woody 51.04%
    Tropical 49.56%
    Peach 46.81%
    Waxy 42.06%
    Fresh 41.15%
    Lactonic 38.52%
    Oily 37.91%

     

    Flavor
    Herbal 56.33%
    Woody 38.12%
    Herb 37.68%
    Spice 36.74%
    Fresh 30.72%
    Wood 28.98%
    Spicy 27.38%
    Fruity 25.4%
    Minty 23.41%
    Jasmin 22.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.49 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 115.59 ˚C est.

  • Synonyms

    • NECTARYL
    • 95962-14-4
    • 2-(2-(4-Methyl-3-cyclohexen-1-yl)propyl)cyclopentanone
    • 2-(p-Menthen-1-ene-9-yl)cyclopentan-1-one
    • P1K3Z8A8HJ
    • 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
    • DTXSID3052646
    • Cyclopentanone, 2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)-
    • 2-[2-(4-METHYL-3-CYCLOHEXEN-1-YL)PROPYL]-CYCLOPENTANONE
    • 2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
    • Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-
    • peach cyclopentanone
    • UNII-P1K3Z8A8HJ
    • SCHEMBL119790
    • CHEMBL3728992
    • DTXCID0031219
    • KNHGOYVXAHUDHP-UHFFFAOYSA-N
    • NS00012869
    • Q62736035
    • Cyclopentanone, 2-2-(4-methyl-3-cyclohexen-1-yl)propyl-
    • 404-240-0
    • 619-182-3

  • Applications

    2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one (CAS 95962-14-4) is primarily used as an aroma/fragrance ingredient and fragrance intermediate, providing terpenoid-style notes in perfumery; commonly evaluated for cosmetics and personal care formulations as a fragrance component; used in household products such as air fresheners and cleaners to impart scent; employed in industrial manufacturing as an odorant or building block in the synthesis of more complex fragrance compounds; and used in coatings and inks to contribute fragrance, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2459.02
    methanol 1464.54
    isopropanol 2488.65
    water 0.33
    ethyl acetate 3401.82
    n-propanol 1925.65
    acetone 2151.62
    n-butanol 1891.01
    acetonitrile 2028.91
    DMF 817.13
    toluene 1675.69
    isobutanol 1254.28
    1,4-dioxane 4318.89
    methyl acetate 2022.29
    THF 3272.82
    2-butanone 2306.76
    n-pentanol 820.19
    sec-butanol 1314.51
    n-hexane 110.31
    ethylene glycol 100.38
    NMP 325.03
    cyclohexane 294.75
    DMSO 681.47
    n-butyl acetate 1721.74
    n-octanol 306.84
    chloroform 4345.16
    n-propyl acetate 1385.3
    acetic acid 688.77
    dichloromethane 3342.36
    cyclohexanone 1826.39
    propylene glycol 258.65
    isopropyl acetate 1943.66
    DMAc 745.28
    2-ethoxyethanol 1177.37
    isopentanol 1533.13
    n-heptane 68.26
    ethyl formate 1011.55
    1,2-dichloroethane 1927.82
    n-hexanol 1031.29
    2-methoxyethanol 1989.56
    isobutyl acetate 870.09
    tetrachloromethane 551.36
    n-pentyl acetate 695.96
    transcutol 6359.86
    n-heptanol 349.59
    ethylbenzene 586.79
    MIBK 1181.52
    2-propoxyethanol 1783.04
    tert-butanol 2010.04
    MTBE 2727.16
    2-butoxyethanol 830.44
    propionic acid 652.16
    o-xylene 646.58
    formic acid 131.69
    diethyl ether 3376.57
    m-xylene 890.86
    p-xylene 657.95
    chlorobenzene 1197.41
    dimethyl carbonate 375.36
    n-octane 29.66
    formamide 298.42
    cyclopentanone 1419.48
    2-pentanone 1981.41
    anisole 1205.59
    cyclopentyl methyl ether 1292.57
    gamma-butyrolactone 1313.62
    1-methoxy-2-propanol 1756.22
    pyridine 2688.16
    3-pentanone 1183.43
    furfural 1195.92
    n-dodecane 23.6
    diethylene glycol 800.19
    diisopropyl ether 758.63
    tert-amyl alcohol 1048.54
    acetylacetone 1633.7
    n-hexadecane 29.15
    acetophenone 782.87
    methyl propionate 1301.32
    isopentyl acetate 1521.93
    trichloroethylene 3143.0
    n-nonanol 277.66
    cyclohexanol 1016.04
    benzyl alcohol 728.57
    2-ethylhexanol 500.9
    isooctanol 315.49
    dipropyl ether 874.24
    1,2-dichlorobenzene 822.0
    ethyl lactate 339.18
    propylene carbonate 876.22
    n-methylformamide 559.19
    2-pentanol 1283.18
    n-pentane 151.08
    1-propoxy-2-propanol 1294.8
    1-methoxy-2-propyl acetate 1510.68
    2-(2-methoxypropoxy) propanol 758.6
    mesitylene 471.41
    ε-caprolactone 1580.55
    p-cymene 279.85
    epichlorohydrin 2292.58
    1,1,1-trichloroethane 2013.87
    2-aminoethanol 402.9
    morpholine-4-carbaldehyde 1177.49
    sulfolane 643.65
    2,2,4-trimethylpentane 65.57
    2-methyltetrahydrofuran 2447.02
    n-hexyl acetate 914.17
    isooctane 81.63
    2-(2-butoxyethoxy)ethanol 1292.28
    sec-butyl acetate 1056.52
    tert-butyl acetate 1569.06
    decalin 107.0
    glycerin 284.88
    diglyme 2453.7
    acrylic acid 362.68
    isopropyl myristate 335.53
    n-butyric acid 1772.53
    acetyl acetate 1222.59
    di(2-ethylhexyl) phthalate 256.9
    ethyl propionate 1068.23
    nitromethane 1259.91
    1,2-diethoxyethane 2568.05
    benzonitrile 1122.57
    trioctyl phosphate 162.96
    1-bromopropane 1509.9
    gamma-valerolactone 2130.1
    n-decanol 195.24
    triethyl phosphate 273.23
    4-methyl-2-pentanol 680.75
    propionitrile 1652.91
    vinylene carbonate 834.0
    1,1,2-trichlorotrifluoroethane 883.88
    DMS 649.88
    cumene 337.95
    2-octanol 229.89
    2-hexanone 1057.1
    octyl acetate 363.55
    limonene 369.29
    1,2-dimethoxyethane 2250.0
    ethyl orthosilicate 299.55
    tributyl phosphate 229.44
    diacetone alcohol 1039.65
    N,N-dimethylaniline 501.42
    acrylonitrile 1302.01
    aniline 1297.98
    1,3-propanediol 972.74
    bromobenzene 1331.83
    dibromomethane 2294.64
    1,1,2,2-tetrachloroethane 2289.97
    2-methyl-cyclohexyl acetate 543.0
    tetrabutyl urea 240.42
    diisobutyl methanol 354.05
    2-phenylethanol 776.49
    styrene 792.69
    dioctyl adipate 397.33
    dimethyl sulfate 293.3
    ethyl butyrate 1058.89
    methyl lactate 375.95
    butyl lactate 443.99
    diethyl carbonate 588.22
    propanediol butyl ether 641.93
    triethyl orthoformate 604.14
    p-tert-butyltoluene 281.51
    methyl 4-tert-butylbenzoate 537.71
    morpholine 4538.59
    tert-butylamine 1323.18
    n-dodecanol 145.77
    dimethoxymethane 1441.69
    ethylene carbonate 860.87
    cyrene 375.61
    2-ethoxyethyl acetate 1279.99
    2-ethylhexyl acetate 973.11
    1,2,4-trichlorobenzene 931.35
    4-methylpyridine 2584.36
    dibutyl ether 727.01
    2,6-dimethyl-4-heptanol 354.05
    DEF 1177.48
    dimethyl isosorbide 960.86
    tetrachloroethylene 1377.83
    eugenol 513.99
    triacetin 740.9
    span 80 521.38
    1,4-butanediol 256.29
    1,1-dichloroethane 2560.81
    2-methyl-1-pentanol 671.09
    methyl formate 341.15
    2-methyl-1-butanol 1073.27
    n-decane 44.81
    butyronitrile 2094.72
    3,7-dimethyl-1-octanol 421.0
    1-chlorooctane 209.97
    1-chlorotetradecane 80.7
    n-nonane 41.65
    undecane 30.62
    tert-butylcyclohexane 99.95
    cyclooctane 88.97
    cyclopentanol 703.05
    tetrahydropyran 4103.05
    tert-amyl methyl ether 1039.71
    2,5,8-trioxanonane 1314.25
    1-hexene 544.83
    2-isopropoxyethanol 879.79
    2,2,2-trifluoroethanol 189.4
    methyl butyrate 1365.17

    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