2-Hexylcyclopent-2-enyl acetate

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  • Identifiers

    CAS number
    56277-00-0

    Molecular formula
    C13H22O2

    SMILES
    CCCCCCC1=CCCC1OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 85.92%
    Fruity 75.36%
    Jasmin 65.37%
    Herbal 55.45%
    Sweet 49.26%
    Fresh 48.16%
    Green 47.21%
    Woody 43.38%
    Waxy 41.9%
    Oily 38.48%

     

    Flavor
    Herbal 50.33%
    Fruity 45.74%
    Floral 44.58%
    Waxy 41.22%
    Fresh 41.18%
    Green 39.86%
    Oily 39.78%
    Woody 36.16%
    Spicy 34.65%
    Sweet 32.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.54 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 120.99 ˚C est.

  • Synonyms

    • 2-Hexylcyclopent-2-enyl acetate
    • 56277-00-0
    • 2-hexylcyclopent-2-en-1-yl acetate
    • EINECS 260-090-4
    • DTXSID10971712
    • KGARLMJLKLKQMZ-UHFFFAOYSA-N
    • DB-251516
    • NS00055121
    • 56277-00-0

  • Applications

    2-Hexylcyclopent-2-enyl acetate (CAS number: 56277-00-0) is used primarily as a fragrance ingredient in perfumery and cosmetics, typically functioning as a fixative to extend aroma and to add notes in personal care formulations; it is also employed in household cleaning products to impart a lasting fragrance; in addition, the compound can serve as an intermediate in fragrance synthesis for industrial manufacturing and is used as a fragrance additive in coatings and inks formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5618.23
    methanol 5423.69
    isopropanol 5141.83
    water 0.16
    ethyl acetate 4521.56
    n-propanol 4413.42
    acetone 6184.06
    n-butanol 4025.82
    acetonitrile 3862.19
    DMF 4293.05
    toluene 1635.49
    isobutanol 3730.84
    1,4-dioxane 5315.3
    methyl acetate 3160.6
    THF 5881.5
    2-butanone 4080.47
    n-pentanol 2591.45
    sec-butanol 4068.1
    n-hexane 512.08
    ethylene glycol 478.22
    NMP 2395.03
    cyclohexane 636.8
    DMSO 4062.03
    n-butyl acetate 2796.44
    n-octanol 786.99
    chloroform 7218.82
    n-propyl acetate 2255.82
    acetic acid 2111.53
    dichloromethane 5909.75
    cyclohexanone 4433.58
    propylene glycol 1046.78
    isopropyl acetate 3359.05
    DMAc 2945.23
    2-ethoxyethanol 2479.03
    isopentanol 3799.87
    n-heptane 122.79
    ethyl formate 1789.78
    1,2-dichloroethane 4072.47
    n-hexanol 2385.06
    2-methoxyethanol 3826.86
    isobutyl acetate 1672.21
    tetrachloromethane 870.87
    n-pentyl acetate 1397.02
    transcutol 7004.48
    n-heptanol 748.03
    ethylbenzene 781.49
    MIBK 2413.55
    2-propoxyethanol 3069.21
    tert-butanol 5094.44
    MTBE 6699.11
    2-butoxyethanol 1356.97
    propionic acid 1952.46
    o-xylene 814.81
    formic acid 462.69
    diethyl ether 5622.17
    m-xylene 1031.01
    p-xylene 935.92
    chlorobenzene 1946.79
    dimethyl carbonate 801.27
    n-octane 63.89
    formamide 714.61
    cyclopentanone 3588.21
    2-pentanone 3994.2
    anisole 1642.36
    cyclopentyl methyl ether 3248.4
    gamma-butyrolactone 3301.72
    1-methoxy-2-propanol 3416.1
    pyridine 3806.35
    3-pentanone 2208.41
    furfural 2380.42
    n-dodecane 57.33
    diethylene glycol 1742.12
    diisopropyl ether 1395.03
    tert-amyl alcohol 3917.53
    acetylacetone 3167.6
    n-hexadecane 69.3
    acetophenone 1247.27
    methyl propionate 2439.87
    isopentyl acetate 2615.29
    trichloroethylene 5940.55
    n-nonanol 653.64
    cyclohexanol 3026.0
    benzyl alcohol 1377.48
    2-ethylhexanol 1186.96
    isooctanol 657.44
    dipropyl ether 1368.62
    1,2-dichlorobenzene 1487.86
    ethyl lactate 687.32
    propylene carbonate 1949.11
    n-methylformamide 1745.11
    2-pentanol 2903.14
    n-pentane 361.74
    1-propoxy-2-propanol 2169.7
    1-methoxy-2-propyl acetate 2181.03
    2-(2-methoxypropoxy) propanol 1251.95
    mesitylene 630.8
    ε-caprolactone 3304.49
    p-cymene 361.17
    epichlorohydrin 4537.24
    1,1,1-trichloroethane 3766.96
    2-aminoethanol 1413.24
    morpholine-4-carbaldehyde 2808.79
    sulfolane 2998.61
    2,2,4-trimethylpentane 187.24
    2-methyltetrahydrofuran 5198.88
    n-hexyl acetate 1961.02
    isooctane 169.82
    2-(2-butoxyethoxy)ethanol 1899.31
    sec-butyl acetate 1786.5
    tert-butyl acetate 2887.23
    decalin 280.47
    glycerin 982.82
    diglyme 2985.12
    acrylic acid 1214.47
    isopropyl myristate 605.34
    n-butyric acid 3621.4
    acetyl acetate 1815.4
    di(2-ethylhexyl) phthalate 517.59
    ethyl propionate 1812.61
    nitromethane 2983.84
    1,2-diethoxyethane 2917.55
    benzonitrile 1705.37
    trioctyl phosphate 361.04
    1-bromopropane 3483.47
    gamma-valerolactone 4076.99
    n-decanol 457.29
    triethyl phosphate 436.96
    4-methyl-2-pentanol 1429.88
    propionitrile 3112.23
    vinylene carbonate 1666.44
    1,1,2-trichlorotrifluoroethane 2458.68
    DMS 1253.02
    cumene 517.17
    2-octanol 595.13
    2-hexanone 2421.97
    octyl acetate 747.53
    limonene 648.06
    1,2-dimethoxyethane 4259.24
    ethyl orthosilicate 470.92
    tributyl phosphate 501.99
    diacetone alcohol 2266.7
    N,N-dimethylaniline 924.84
    acrylonitrile 2666.8
    aniline 2051.35
    1,3-propanediol 2090.82
    bromobenzene 2260.8
    dibromomethane 4315.54
    1,1,2,2-tetrachloroethane 5282.52
    2-methyl-cyclohexyl acetate 941.39
    tetrabutyl urea 599.24
    diisobutyl methanol 572.55
    2-phenylethanol 1245.55
    styrene 1162.68
    dioctyl adipate 790.05
    dimethyl sulfate 969.2
    ethyl butyrate 1357.69
    methyl lactate 906.13
    butyl lactate 906.16
    diethyl carbonate 795.33
    propanediol butyl ether 1330.55
    triethyl orthoformate 822.4
    p-tert-butyltoluene 362.93
    methyl 4-tert-butylbenzoate 915.98
    morpholine 6780.62
    tert-butylamine 3226.2
    n-dodecanol 328.32
    dimethoxymethane 2915.65
    ethylene carbonate 1653.37
    cyrene 829.26
    2-ethoxyethyl acetate 1777.25
    2-ethylhexyl acetate 1742.52
    1,2,4-trichlorobenzene 1682.27
    4-methylpyridine 4090.36
    dibutyl ether 1380.33
    2,6-dimethyl-4-heptanol 572.55
    DEF 3431.84
    dimethyl isosorbide 1591.46
    tetrachloroethylene 3024.83
    eugenol 923.14
    triacetin 1321.84
    span 80 1113.46
    1,4-butanediol 884.48
    1,1-dichloroethane 5112.6
    2-methyl-1-pentanol 2331.28
    methyl formate 1169.57
    2-methyl-1-butanol 3489.3
    n-decane 104.89
    butyronitrile 3782.99
    3,7-dimethyl-1-octanol 903.84
    1-chlorooctane 574.11
    1-chlorotetradecane 201.42
    n-nonane 102.21
    undecane 74.62
    tert-butylcyclohexane 267.13
    cyclooctane 152.09
    cyclopentanol 2506.22
    tetrahydropyran 6608.68
    tert-amyl methyl ether 3216.39
    2,5,8-trioxanonane 1865.51
    1-hexene 2125.23
    2-isopropoxyethanol 2037.38
    2,2,2-trifluoroethanol 516.83
    methyl butyrate 2564.13

    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