Cyclopentanone, 3-methyl-2-pentyl-

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  • Identifiers

    CAS number
    13074-63-0

    Molecular formula
    C11H20O

    SMILES
    CCCCCC1C(CCC1=O)C

  • Odor profile

    Fragrance
    Fruity 76.51%
    Jasmin 70.56%
    Floral 67.98%
    Herbal 57.68%
    Green 52.66%
    Fresh 52.21%
    Sweet 51.59%
    Woody 50.83%
    Spicy 49.97%
    Oily 41.02%

     

    Flavor
    Fresh 54.69%
    Herbal 50.85%
    Green 41.06%
    Waxy 40.64%
    Fatty 38.93%
    Sweet 37.17%
    Oily 34.14%
    Coconut 33.26%
    Peach 32.94%
    Fruity 32.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.6 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 87.44 ˚C est.

  • Synonyms

    • Tetrahydrojasmone
    • 13074-63-0
    • Cyclopentanone, 3-methyl-2-pentyl-
    • 3-Methyl-2-pentylcyclopentan-1-one
    • 3-Methyl-2-pentylcyclopentanone
    • DTXSID30864354
    • EINECS 235-969-0
    • AI3-36075
    • SCHEMBL158776
    • DTXCID20812884
    • 3-Methyl-2-pentylcyclopentanone #
    • AKOS006273854
    • DB-326188
    • NS00051122
    • 235-969-0

  • Applications

    Cyclopentanone, 3-methyl-2-pentyl- is used primarily as an odorant and fragrance intermediate in the perfume industry, contributing to scent profiles and providing a building block for the synthesis of related fragrance ingredients. It may be incorporated into cosmetics and personal care formulations as a fragrance component, subject to regulatory limits. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of other cyclopentanone derivatives and related compounds. In coatings and inks, it can function as a processing aid or solvent/precursor in resin formulation and printing applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14144.46
    methanol 14202.39
    isopropanol 13938.89
    water 1.83
    ethyl acetate 14337.28
    n-propanol 11480.76
    acetone 18988.86
    n-butanol 11033.4
    acetonitrile 17839.44
    DMF 8533.23
    toluene 4656.25
    isobutanol 9622.35
    1,4-dioxane 14350.41
    methyl acetate 8528.54
    THF 14679.78
    2-butanone 11669.98
    n-pentanol 5818.35
    sec-butanol 9077.85
    n-hexane 1781.05
    ethylene glycol 942.3
    NMP 4353.25
    cyclohexane 2638.48
    DMSO 5839.95
    n-butyl acetate 10440.99
    n-octanol 1866.19
    chloroform 23409.52
    n-propyl acetate 7123.3
    acetic acid 7343.07
    dichloromethane 18578.09
    cyclohexanone 13332.87
    propylene glycol 1673.68
    isopropyl acetate 9205.3
    DMAc 4057.65
    2-ethoxyethanol 5101.14
    isopentanol 9871.3
    n-heptane 600.22
    ethyl formate 7141.92
    1,2-dichloroethane 12189.53
    n-hexanol 6495.55
    2-methoxyethanol 9225.15
    isobutyl acetate 4123.85
    tetrachloromethane 4365.18
    n-pentyl acetate 4399.8
    transcutol 15182.6
    n-heptanol 1985.87
    ethylbenzene 2197.49
    MIBK 5759.31
    2-propoxyethanol 7475.6
    tert-butanol 13289.86
    MTBE 14615.88
    2-butoxyethanol 3358.76
    propionic acid 6164.71
    o-xylene 2026.38
    formic acid 1658.66
    diethyl ether 15195.31
    m-xylene 2495.38
    p-xylene 2759.3
    chlorobenzene 7187.92
    dimethyl carbonate 1644.84
    n-octane 229.64
    formamide 2708.99
    cyclopentanone 10727.88
    2-pentanone 10684.86
    anisole 4021.06
    cyclopentyl methyl ether 7248.27
    gamma-butyrolactone 10507.05
    1-methoxy-2-propanol 6573.52
    pyridine 13271.7
    3-pentanone 5972.13
    furfural 7839.54
    n-dodecane 136.37
    diethylene glycol 3348.84
    diisopropyl ether 3937.51
    tert-amyl alcohol 7656.35
    acetylacetone 7973.0
    n-hexadecane 168.44
    acetophenone 2862.12
    methyl propionate 6190.89
    isopentyl acetate 8070.34
    trichloroethylene 19393.83
    n-nonanol 1494.34
    cyclohexanol 7781.15
    benzyl alcohol 3080.74
    2-ethylhexanol 3215.34
    isooctanol 1669.54
    dipropyl ether 4599.86
    1,2-dichlorobenzene 4805.02
    ethyl lactate 1454.36
    propylene carbonate 6127.05
    n-methylformamide 5842.46
    2-pentanol 7219.67
    n-pentane 1491.04
    1-propoxy-2-propanol 5388.26
    1-methoxy-2-propyl acetate 5459.45
    2-(2-methoxypropoxy) propanol 2084.12
    mesitylene 1557.07
    ε-caprolactone 10283.43
    p-cymene 1000.5
    epichlorohydrin 12511.08
    1,1,1-trichloroethane 13439.55
    2-aminoethanol 2880.34
    morpholine-4-carbaldehyde 6240.93
    sulfolane 6636.68
    2,2,4-trimethylpentane 515.81
    2-methyltetrahydrofuran 12838.56
    n-hexyl acetate 5062.92
    isooctane 530.41
    2-(2-butoxyethoxy)ethanol 3428.7
    sec-butyl acetate 4757.34
    tert-butyl acetate 6779.31
    decalin 787.95
    glycerin 1713.52
    diglyme 7147.75
    acrylic acid 3960.08
    isopropyl myristate 1285.42
    n-butyric acid 13107.59
    acetyl acetate 5768.55
    di(2-ethylhexyl) phthalate 941.03
    ethyl propionate 4974.05
    nitromethane 11363.65
    1,2-diethoxyethane 8391.61
    benzonitrile 6312.61
    trioctyl phosphate 684.95
    1-bromopropane 9228.72
    gamma-valerolactone 12315.41
    n-decanol 988.24
    triethyl phosphate 933.22
    4-methyl-2-pentanol 3419.53
    propionitrile 12318.17
    vinylene carbonate 5637.25
    1,1,2-trichlorotrifluoroethane 5841.39
    DMS 2536.14
    cumene 1256.2
    2-octanol 1475.58
    2-hexanone 6816.17
    octyl acetate 1491.06
    limonene 1734.71
    1,2-dimethoxyethane 10910.55
    ethyl orthosilicate 1063.66
    tributyl phosphate 1037.52
    diacetone alcohol 4572.51
    N,N-dimethylaniline 1851.54
    acrylonitrile 10786.27
    aniline 5830.25
    1,3-propanediol 5512.33
    bromobenzene 7247.05
    dibromomethane 13670.04
    1,1,2,2-tetrachloroethane 14344.13
    2-methyl-cyclohexyl acetate 2142.79
    tetrabutyl urea 1103.56
    diisobutyl methanol 1615.24
    2-phenylethanol 3174.59
    styrene 3362.93
    dioctyl adipate 1438.97
    dimethyl sulfate 1688.43
    ethyl butyrate 4812.93
    methyl lactate 1786.91
    butyl lactate 2188.11
    diethyl carbonate 2340.56
    propanediol butyl ether 2537.3
    triethyl orthoformate 2435.97
    p-tert-butyltoluene 980.83
    methyl 4-tert-butylbenzoate 1755.53
    morpholine 16461.61
    tert-butylamine 9643.88
    n-dodecanol 684.79
    dimethoxymethane 5897.27
    ethylene carbonate 5815.35
    cyrene 1268.16
    2-ethoxyethyl acetate 4651.55
    2-ethylhexyl acetate 5048.43
    1,2,4-trichlorobenzene 5050.99
    4-methylpyridine 12801.49
    dibutyl ether 4081.58
    2,6-dimethyl-4-heptanol 1615.24
    DEF 8342.52
    dimethyl isosorbide 2924.72
    tetrachloroethylene 10095.61
    eugenol 1728.97
    triacetin 2461.32
    span 80 1875.97
    1,4-butanediol 1614.98
    1,1-dichloroethane 16847.43
    2-methyl-1-pentanol 4871.1
    methyl formate 4031.56
    2-methyl-1-butanol 7805.46
    n-decane 297.48
    butyronitrile 14141.27
    3,7-dimethyl-1-octanol 2150.46
    1-chlorooctane 1367.86
    1-chlorotetradecane 430.68
    n-nonane 304.64
    undecane 191.91
    tert-butylcyclohexane 715.89
    cyclooctane 601.55
    cyclopentanol 6729.57
    tetrahydropyran 17823.68
    tert-amyl methyl ether 5984.94
    2,5,8-trioxanonane 3167.53
    1-hexene 5632.03
    2-isopropoxyethanol 3838.0
    2,2,2-trifluoroethanol 1891.93
    methyl butyrate 7859.75

    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