Cyclopentanol, 3-methyl-2-pentyl-, 1-acetate

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  • Identifiers

    CAS number
    76649-21-3

    Molecular formula
    C13H24O2

    SMILES
    CCCCCC1C(CCC1OC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 88.05%
    Fruity 65.26%
    Herbal 62.25%
    Sweet 60.39%
    Woody 56.25%
    Fresh 52.81%
    Jasmin 49.35%
    Rose 43.57%
    Green 40.8%
    Spicy 39.05%

     

    Flavor
    Fruity 51.57%
    Herbal 51.18%
    Sweet 47.79%
    Woody 42.78%
    Green 41.78%
    Floral 38.35%
    Tropical 37.89%
    Waxy 37.81%
    Rose 37.29%
    Fresh 37.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.38 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 105.06 ˚C est.

  • Synonyms

    • 76649-21-3
    • Cyclopentanol, 3-methyl-2-pentyl-, acetate
    • Cyclopentanol, 3-methyl-2-pentyl-, 1-acetate
    • EINECS 278-514-1
    • DTXSID20887810
    • RefChem:129870
    • DTXCID401027095
    • 3-Methyl-2-pentylcyclopentyl acetate
    • JASMONYL ACETATE
    • QPFLWOSNOVCWND-UHFFFAOYSA-N
    • NS00058338
    • 76649-21-3

  • Applications

    Cyclopentanol, 3-methyl-2-pentyl-, 1-acetate (CAS 76649-21-3) is a specialized ester primarily used in fragrance formulation. In perfumery, it serves as an odorant and can act as a fixative to extend scent, and is used as a fragrance ingredient in cosmetics and personal care products to provide specific aroma characteristics. It is also used as a fragrance component in household products such as air fresheners and cleaners to improve odor. In industrial manufacturing, it may function as a specialty intermediate in fragrance synthesis and related formulation work. It may also be used as a fragrance additive or processing aid in polymer or coating formulations to impart scent or assist processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14562.13
    methanol 14712.54
    isopropanol 16454.61
    water 0.96
    ethyl acetate 10674.72
    n-propanol 12025.16
    acetone 12749.86
    n-butanol 10788.4
    acetonitrile 9542.73
    DMF 6844.99
    toluene 3287.31
    isobutanol 10434.81
    1,4-dioxane 11874.72
    methyl acetate 6410.93
    THF 13406.42
    2-butanone 8662.29
    n-pentanol 6087.22
    sec-butanol 10606.75
    n-hexane 1332.41
    ethylene glycol 909.29
    NMP 3835.39
    cyclohexane 1968.72
    DMSO 5615.69
    n-butyl acetate 6802.76
    n-octanol 1602.43
    chloroform 14947.11
    n-propyl acetate 5191.21
    acetic acid 4963.47
    dichloromethane 11933.67
    cyclohexanone 10219.12
    propylene glycol 2090.71
    isopropyl acetate 7808.81
    DMAc 4009.67
    2-ethoxyethanol 4721.34
    isopentanol 9585.8
    n-heptane 324.91
    ethyl formate 4881.6
    1,2-dichloroethane 7611.69
    n-hexanol 5910.3
    2-methoxyethanol 7973.98
    isobutyl acetate 3475.13
    tetrachloromethane 2418.43
    n-pentyl acetate 3146.96
    transcutol 9709.33
    n-heptanol 1762.19
    ethylbenzene 1442.14
    MIBK 4726.69
    2-propoxyethanol 6278.49
    tert-butanol 14110.47
    MTBE 14722.59
    2-butoxyethanol 2734.39
    propionic acid 4763.07
    o-xylene 1531.64
    formic acid 1098.8
    diethyl ether 12571.02
    m-xylene 1914.56
    p-xylene 1922.49
    chlorobenzene 4047.3
    dimethyl carbonate 1247.64
    n-octane 141.13
    formamide 1586.89
    cyclopentanone 7852.14
    2-pentanone 8378.58
    anisole 2675.49
    cyclopentyl methyl ether 6584.56
    gamma-butyrolactone 7479.64
    1-methoxy-2-propanol 6619.23
    pyridine 7723.89
    3-pentanone 4234.49
    furfural 4886.34
    n-dodecane 104.04
    diethylene glycol 2906.17
    diisopropyl ether 3279.2
    tert-amyl alcohol 8987.72
    acetylacetone 5864.67
    n-hexadecane 127.67
    acetophenone 2012.72
    methyl propionate 4733.72
    isopentyl acetate 5751.38
    trichloroethylene 10853.98
    n-nonanol 1252.55
    cyclohexanol 7841.91
    benzyl alcohol 2282.28
    2-ethylhexanol 2519.16
    isooctanol 1398.1
    dipropyl ether 3235.2
    1,2-dichlorobenzene 2894.27
    ethyl lactate 1235.46
    propylene carbonate 4567.68
    n-methylformamide 3991.24
    2-pentanol 7487.89
    n-pentane 1050.42
    1-propoxy-2-propanol 4378.73
    1-methoxy-2-propyl acetate 4077.94
    2-(2-methoxypropoxy) propanol 1693.53
    mesitylene 1168.46
    ε-caprolactone 8050.42
    p-cymene 695.11
    epichlorohydrin 8724.72
    1,1,1-trichloroethane 8109.93
    2-aminoethanol 2937.56
    morpholine-4-carbaldehyde 4746.52
    sulfolane 5224.78
    2,2,4-trimethylpentane 415.88
    2-methyltetrahydrofuran 11634.39
    n-hexyl acetate 3948.15
    isooctane 379.98
    2-(2-butoxyethoxy)ethanol 2751.28
    sec-butyl acetate 3895.6
    tert-butyl acetate 5751.85
    decalin 574.03
    glycerin 1646.69
    diglyme 4979.83
    acrylic acid 2445.79
    isopropyl myristate 994.13
    n-butyric acid 9665.85
    acetyl acetate 4077.5
    di(2-ethylhexyl) phthalate 781.84
    ethyl propionate 3821.47
    nitromethane 6375.42
    1,2-diethoxyethane 5247.78
    benzonitrile 3586.97
    trioctyl phosphate 580.46
    1-bromopropane 7014.14
    gamma-valerolactone 9066.59
    n-decanol 825.2
    triethyl phosphate 731.45
    4-methyl-2-pentanol 3351.65
    propionitrile 7912.61
    vinylene carbonate 3728.54
    1,1,2-trichlorotrifluoroethane 4266.46
    DMS 1925.17
    cumene 920.82
    2-octanol 1346.13
    2-hexanone 5074.3
    octyl acetate 1222.04
    limonene 1334.96
    1,2-dimethoxyethane 8850.4
    ethyl orthosilicate 800.27
    tributyl phosphate 818.01
    diacetone alcohol 4234.1
    N,N-dimethylaniline 1408.89
    acrylonitrile 5989.51
    aniline 4125.62
    1,3-propanediol 4909.99
    bromobenzene 4438.37
    dibromomethane 9071.58
    1,1,2,2-tetrachloroethane 9145.1
    2-methyl-cyclohexyl acetate 1652.69
    tetrabutyl urea 896.11
    diisobutyl methanol 1195.57
    2-phenylethanol 2353.66
    styrene 2103.55
    dioctyl adipate 1209.73
    dimethyl sulfate 1382.41
    ethyl butyrate 3143.3
    methyl lactate 1515.88
    butyl lactate 1761.6
    diethyl carbonate 1500.29
    propanediol butyl ether 2169.92
    triethyl orthoformate 1674.91
    p-tert-butyltoluene 689.25
    methyl 4-tert-butylbenzoate 1425.11
    morpholine 14889.87
    tert-butylamine 8884.19
    n-dodecanol 581.79
    dimethoxymethane 5039.13
    ethylene carbonate 4188.29
    cyrene 1178.7
    2-ethoxyethyl acetate 3229.0
    2-ethylhexyl acetate 3806.63
    1,2,4-trichlorobenzene 3169.27
    4-methylpyridine 8341.82
    dibutyl ether 2742.93
    2,6-dimethyl-4-heptanol 1195.57
    DEF 6554.05
    dimethyl isosorbide 2457.78
    tetrachloroethylene 5775.99
    eugenol 1371.85
    triacetin 1928.54
    span 80 1617.98
    1,4-butanediol 1827.73
    1,1-dichloroethane 11269.01
    2-methyl-1-pentanol 4931.86
    methyl formate 2650.06
    2-methyl-1-butanol 7802.35
    n-decane 211.82
    butyronitrile 9710.28
    3,7-dimethyl-1-octanol 1719.19
    1-chlorooctane 1051.49
    1-chlorotetradecane 331.81
    n-nonane 218.42
    undecane 139.84
    tert-butylcyclohexane 520.84
    cyclooctane 406.93
    cyclopentanol 7127.62
    tetrahydropyran 16474.66
    tert-amyl methyl ether 6000.4
    2,5,8-trioxanonane 2622.92
    1-hexene 4893.71
    2-isopropoxyethanol 3553.87
    2,2,2-trifluoroethanol 1164.18
    methyl butyrate 5888.78

    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