Cyclopentyl 2-ethoxybenzoate

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  • Identifiers

    CAS number
    5421-16-9

    Molecular formula
    C14H18O3

    SMILES
    CCOC1=CC=CC=C1C(=O)OC2CCCC2

  • Odor profile

    Fragrance
    Floral 81.07%
    Fruity 65.87%
    Sweet 64.39%
    Herbal 62.86%
    Balsamic 56.59%
    Green 52.76%
    Jasmin 35.68%
    Woody 34.45%
    Anisic 32.66%
    Aromatic 29.8%

     

    Flavor
    Balsam 43.97%
    Bitter 43.67%
    Floral 42.5%
    Fruity 34.57%
    Herbal 32.09%
    Sweet 29.69%
    Wintergreen 24.33%
    Rose 24.12%
    Balsamic 23.71%
    Faint 23.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.27 (neutral)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 133.49 ˚C est.

  • Synonyms

    • 5421-16-9
    • cyclopentyl 2-ethoxybenzoate
    • NSC6650
    • DTXSID50278217
    • NSC-6650

  • Applications

    Cyclopentyl 2-ethoxybenzoate (CAS 5421-16-9) is used as a fragrance ingredient and fixative in perfumery, and is sometimes incorporated into cosmetics and personal care formulations to impart scent. It may also serve as a scent component in household products such as detergents, cleaners, and air fresheners. In addition, the compound can function as a plasticizer or processing aid in polymers and coatings, and may be employed as an intermediate in organic synthesis. In coatings and inks, it may be evaluated as a fragrance additive or processing aid depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1791.55
    methanol 1868.88
    isopropanol 1128.42
    water 0.31
    ethyl acetate 1902.37
    n-propanol 1244.29
    acetone 3208.42
    n-butanol 1351.24
    acetonitrile 1956.9
    DMF 3556.89
    toluene 1086.86
    isobutanol 1001.2
    1,4-dioxane 2068.96
    methyl acetate 1458.75
    THF 3284.33
    2-butanone 1863.12
    n-pentanol 697.21
    sec-butanol 957.55
    n-hexane 66.25
    ethylene glycol 285.76
    NMP 2513.57
    cyclohexane 255.47
    DMSO 2910.38
    n-butyl acetate 950.27
    n-octanol 276.76
    chloroform 6069.42
    n-propyl acetate 826.84
    acetic acid 1835.41
    dichloromethane 6125.01
    cyclohexanone 2900.52
    propylene glycol 427.65
    isopropyl acetate 1086.91
    DMAc 2136.08
    2-ethoxyethanol 854.58
    isopentanol 1035.41
    n-heptane 31.99
    ethyl formate 1161.64
    1,2-dichloroethane 4565.61
    n-hexanol 637.27
    2-methoxyethanol 1905.9
    isobutyl acetate 503.23
    tetrachloromethane 459.56
    n-pentyl acetate 519.18
    transcutol 2326.61
    n-heptanol 233.32
    ethylbenzene 393.07
    MIBK 829.62
    2-propoxyethanol 1021.4
    tert-butanol 1024.18
    MTBE 967.84
    2-butoxyethanol 508.4
    propionic acid 1093.32
    o-xylene 431.12
    formic acid 444.95
    diethyl ether 1343.83
    m-xylene 500.82
    p-xylene 516.15
    chlorobenzene 1889.2
    dimethyl carbonate 774.89
    n-octane 20.48
    formamide 831.44
    cyclopentanone 3106.74
    2-pentanone 1678.53
    anisole 846.8
    cyclopentyl methyl ether 1419.11
    gamma-butyrolactone 2954.54
    1-methoxy-2-propanol 1346.15
    pyridine 2918.02
    3-pentanone 1082.72
    furfural 2373.14
    n-dodecane 23.61
    diethylene glycol 843.03
    diisopropyl ether 303.55
    tert-amyl alcohol 784.45
    acetylacetone 1838.31
    n-hexadecane 28.63
    acetophenone 838.96
    methyl propionate 1384.4
    isopentyl acetate 804.69
    trichloroethylene 7192.43
    n-nonanol 233.84
    cyclohexanol 1267.85
    benzyl alcohol 774.48
    2-ethylhexanol 336.2
    isooctanol 197.42
    dipropyl ether 359.7
    1,2-dichlorobenzene 1441.01
    ethyl lactate 356.95
    propylene carbonate 1686.24
    n-methylformamide 1465.85
    2-pentanol 779.64
    n-pentane 73.6
    1-propoxy-2-propanol 625.78
    1-methoxy-2-propyl acetate 798.58
    2-(2-methoxypropoxy) propanol 477.34
    mesitylene 275.48
    ε-caprolactone 1949.85
    p-cymene 175.42
    epichlorohydrin 3991.2
    1,1,1-trichloroethane 2993.34
    2-aminoethanol 576.65
    morpholine-4-carbaldehyde 1860.48
    sulfolane 2843.57
    2,2,4-trimethylpentane 49.64
    2-methyltetrahydrofuran 2116.59
    n-hexyl acetate 751.23
    isooctane 39.38
    2-(2-butoxyethoxy)ethanol 717.13
    sec-butyl acetate 525.69
    tert-butyl acetate 863.86
    decalin 100.61
    glycerin 519.26
    diglyme 1393.41
    acrylic acid 1030.77
    isopropyl myristate 242.74
    n-butyric acid 1886.62
    acetyl acetate 1189.48
    di(2-ethylhexyl) phthalate 253.52
    ethyl propionate 716.86
    nitromethane 2970.89
    1,2-diethoxyethane 775.06
    benzonitrile 1206.77
    trioctyl phosphate 172.12
    1-bromopropane 1837.03
    gamma-valerolactone 2842.68
    n-decanol 163.6
    triethyl phosphate 244.01
    4-methyl-2-pentanol 361.38
    propionitrile 1271.61
    vinylene carbonate 1579.14
    1,1,2-trichlorotrifluoroethane 1928.55
    DMS 706.92
    cumene 225.39
    2-octanol 171.16
    2-hexanone 818.44
    octyl acetate 327.2
    limonene 285.8
    1,2-dimethoxyethane 1523.22
    ethyl orthosilicate 216.65
    tributyl phosphate 230.22
    diacetone alcohol 866.27
    N,N-dimethylaniline 450.02
    acrylonitrile 1651.01
    aniline 1225.61
    1,3-propanediol 1020.22
    bromobenzene 2154.05
    dibromomethane 3952.31
    1,1,2,2-tetrachloroethane 5307.4
    2-methyl-cyclohexyl acetate 419.05
    tetrabutyl urea 302.57
    diisobutyl methanol 184.86
    2-phenylethanol 634.85
    styrene 663.61
    dioctyl adipate 370.53
    dimethyl sulfate 919.1
    ethyl butyrate 552.41
    methyl lactate 637.48
    butyl lactate 386.51
    diethyl carbonate 405.58
    propanediol butyl ether 506.57
    triethyl orthoformate 322.58
    p-tert-butyltoluene 161.67
    methyl 4-tert-butylbenzoate 470.14
    morpholine 2609.4
    tert-butylamine 597.1
    n-dodecanol 124.1
    dimethoxymethane 1801.07
    ethylene carbonate 1372.79
    cyrene 486.55
    2-ethoxyethyl acetate 707.85
    2-ethylhexyl acetate 565.46
    1,2,4-trichlorobenzene 1593.69
    4-methylpyridine 2623.09
    dibutyl ether 377.97
    2,6-dimethyl-4-heptanol 184.86
    DEF 1777.55
    dimethyl isosorbide 745.15
    tetrachloroethylene 2909.68
    eugenol 480.08
    triacetin 581.77
    span 80 427.0
    1,4-butanediol 359.2
    1,1-dichloroethane 3755.29
    2-methyl-1-pentanol 635.48
    methyl formate 1189.34
    2-methyl-1-butanol 967.88
    n-decane 36.99
    butyronitrile 1574.83
    3,7-dimethyl-1-octanol 282.11
    1-chlorooctane 235.85
    1-chlorotetradecane 88.32
    n-nonane 33.73
    undecane 28.18
    tert-butylcyclohexane 74.39
    cyclooctane 57.67
    cyclopentanol 1271.8
    tetrahydropyran 2443.59
    tert-amyl methyl ether 596.69
    2,5,8-trioxanonane 804.36
    1-hexene 358.09
    2-isopropoxyethanol 574.98
    2,2,2-trifluoroethanol 571.74
    methyl butyrate 1083.19

    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