2-Heptylidenecyclopentan-1-one

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  • Identifiers

    CAS number
    39189-74-7

    Molecular formula
    C12H20O

    SMILES
    CCCCCCC=C1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.1%
    Floral 86.7%
    Jasmin 82.71%
    Green 60.13%
    Herbal 57.73%
    Waxy 55.76%
    Sweet 53.18%
    Fresh 50.8%
    Spicy 47.49%
    Peach 47.06%

     

    Flavor
    Herbal 65.04%
    Fresh 48.93%
    Jasmin 39.31%
    Woody 38.78%
    Fatty 38.78%
    Spicy 36.12%
    Waxy 35.41%
    Celery 32.11%
    Floral 31.5%
    Oily 30.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.36 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 101.77 ˚C est.

  • Synonyms

    • 2-Heptylidenecyclopentan-1-one
    • Cyclopentanone, 2-heptylidene-
    • 39189-74-7
    • 2-heptylidenecyclopentanone
    • DTXSID9068162
    • NS00012525
    • 254-339-6

  • Applications

    2-Heptylidenecyclopentan-1-one (CAS 39189-74-7) is typically regarded as a fragrance ingredient and an intermediate in fragrance chemistry. Primary applications include perfumery and fragrance formulations, and it may be used as a scent component in cosmetics and personal care products. It can also be evaluated for use in household products and cleaners as a fragrance additive; it may serve as an intermediate in the synthesis of more complex fragrance compounds. Other potential applications include fragrance additives for coatings and inks, and general use as a processing or formulation aid within fragrance-related industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7873.99
    methanol 7056.17
    isopropanol 7739.33
    water 0.12
    ethyl acetate 10995.4
    n-propanol 6309.75
    acetone 12930.02
    n-butanol 6253.98
    acetonitrile 10406.23
    DMF 6226.49
    toluene 3554.51
    isobutanol 5378.57
    1,4-dioxane 8530.07
    methyl acetate 6608.95
    THF 8698.8
    2-butanone 8788.76
    n-pentanol 3755.34
    sec-butanol 5863.54
    n-hexane 1568.75
    ethylene glycol 406.12
    NMP 2915.09
    cyclohexane 1793.0
    DMSO 5125.64
    n-butyl acetate 7978.85
    n-octanol 1449.65
    chloroform 12349.42
    n-propyl acetate 5859.1
    acetic acid 3195.25
    dichloromethane 11562.77
    cyclohexanone 8602.57
    propylene glycol 864.22
    isopropyl acetate 6792.88
    DMAc 3442.55
    2-ethoxyethanol 3590.62
    isopentanol 6215.38
    n-heptane 550.76
    ethyl formate 3749.9
    1,2-dichloroethane 8429.33
    n-hexanol 4179.51
    2-methoxyethanol 5720.32
    isobutyl acetate 3383.26
    tetrachloromethane 1906.32
    n-pentyl acetate 3513.34
    transcutol 15576.62
    n-heptanol 1473.45
    ethylbenzene 1842.13
    MIBK 4443.07
    2-propoxyethanol 4969.32
    tert-butanol 7689.69
    MTBE 10914.98
    2-butoxyethanol 2510.31
    propionic acid 2918.95
    o-xylene 1454.4
    formic acid 527.91
    diethyl ether 13230.25
    m-xylene 1966.64
    p-xylene 1952.46
    chlorobenzene 4095.7
    dimethyl carbonate 1259.97
    n-octane 233.63
    formamide 1061.17
    cyclopentanone 6218.55
    2-pentanone 8901.1
    anisole 3090.99
    cyclopentyl methyl ether 5393.03
    gamma-butyrolactone 5441.55
    1-methoxy-2-propanol 4833.51
    pyridine 8044.92
    3-pentanone 5175.36
    furfural 3967.83
    n-dodecane 146.58
    diethylene glycol 2082.16
    diisopropyl ether 3315.19
    tert-amyl alcohol 5373.45
    acetylacetone 5770.03
    n-hexadecane 178.53
    acetophenone 2367.51
    methyl propionate 5151.06
    isopentyl acetate 6223.41
    trichloroethylene 12319.85
    n-nonanol 1223.27
    cyclohexanol 4574.48
    benzyl alcohol 2113.98
    2-ethylhexanol 2557.77
    isooctanol 1350.69
    dipropyl ether 4094.01
    1,2-dichlorobenzene 3019.62
    ethyl lactate 1093.67
    propylene carbonate 3323.91
    n-methylformamide 2855.05
    2-pentanol 5145.48
    n-pentane 1119.31
    1-propoxy-2-propanol 3848.52
    1-methoxy-2-propyl acetate 4418.03
    2-(2-methoxypropoxy) propanol 2000.2
    mesitylene 1200.44
    ε-caprolactone 6347.37
    p-cymene 826.18
    epichlorohydrin 7665.68
    1,1,1-trichloroethane 7715.49
    2-aminoethanol 1431.52
    morpholine-4-carbaldehyde 4033.49
    sulfolane 3978.47
    2,2,4-trimethylpentane 387.18
    2-methyltetrahydrofuran 8640.83
    n-hexyl acetate 4039.21
    isooctane 423.23
    2-(2-butoxyethoxy)ethanol 3099.68
    sec-butyl acetate 3940.76
    tert-butyl acetate 5399.24
    decalin 627.67
    glycerin 905.65
    diglyme 5646.17
    acrylic acid 1724.43
    isopropyl myristate 1239.5
    n-butyric acid 6940.41
    acetyl acetate 3517.53
    di(2-ethylhexyl) phthalate 778.43
    ethyl propionate 4375.03
    nitromethane 5552.51
    1,2-diethoxyethane 8083.81
    benzonitrile 3663.58
    trioctyl phosphate 590.46
    1-bromopropane 7314.36
    gamma-valerolactone 6849.49
    n-decanol 849.54
    triethyl phosphate 833.65
    4-methyl-2-pentanol 2411.58
    propionitrile 7467.81
    vinylene carbonate 2915.81
    1,1,2-trichlorotrifluoroethane 3536.43
    DMS 2285.8
    cumene 1058.36
    2-octanol 1176.78
    2-hexanone 5467.78
    octyl acetate 1420.66
    limonene 1469.55
    1,2-dimethoxyethane 7175.61
    ethyl orthosilicate 923.66
    tributyl phosphate 873.37
    diacetone alcohol 3333.67
    N,N-dimethylaniline 1563.12
    acrylonitrile 5960.87
    aniline 3654.28
    1,3-propanediol 2672.53
    bromobenzene 4599.01
    dibromomethane 8692.26
    1,1,2,2-tetrachloroethane 9075.01
    2-methyl-cyclohexyl acetate 1844.85
    tetrabutyl urea 1015.62
    diisobutyl methanol 1308.33
    2-phenylethanol 2117.38
    styrene 2768.08
    dioctyl adipate 1386.04
    dimethyl sulfate 1287.16
    ethyl butyrate 3845.99
    methyl lactate 1232.42
    butyl lactate 1735.3
    diethyl carbonate 1960.87
    propanediol butyl ether 1965.53
    triethyl orthoformate 2005.4
    p-tert-butyltoluene 793.24
    methyl 4-tert-butylbenzoate 1498.83
    morpholine 11166.94
    tert-butylamine 5665.23
    n-dodecanol 618.73
    dimethoxymethane 5015.24
    ethylene carbonate 2948.57
    cyrene 1057.32
    2-ethoxyethyl acetate 4087.74
    2-ethylhexyl acetate 4287.61
    1,2,4-trichlorobenzene 3094.08
    4-methylpyridine 8463.31
    dibutyl ether 3869.63
    2,6-dimethyl-4-heptanol 1308.33
    DEF 6547.76
    dimethyl isosorbide 2551.24
    tetrachloroethylene 5561.6
    eugenol 1430.79
    triacetin 2238.15
    span 80 1704.11
    1,4-butanediol 920.9
    1,1-dichloroethane 10753.33
    2-methyl-1-pentanol 3385.02
    methyl formate 1892.22
    2-methyl-1-butanol 5198.83
    n-decane 291.58
    butyronitrile 8782.55
    3,7-dimethyl-1-octanol 1701.43
    1-chlorooctane 1277.86
    1-chlorotetradecane 426.01
    n-nonane 312.43
    undecane 198.38
    tert-butylcyclohexane 602.2
    cyclooctane 484.15
    cyclopentanol 3389.41
    tetrahydropyran 12212.7
    tert-amyl methyl ether 5168.51
    2,5,8-trioxanonane 3017.22
    1-hexene 5189.96
    2-isopropoxyethanol 2969.84
    2,2,2-trifluoroethanol 681.51
    methyl butyrate 6202.38

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.88 %
Category 2
Products applied to the axillae
 0.023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.88 %
Category 3
Products applied to the face/body using fingertips
 0.46 % Category 8
Products with significant anogenital exposure
 0.045 %
Category 4
Products related to fine fragrance
 0.43 % Category 9
Products with body and hand exposure, primarily rinse off
 0.84 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.11 % Category 10A
Household care products with mostly hand contact
 3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.11 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.11 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.7 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.7 %
Category 6
Products with oral and lip exposure
 0.25 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction