Benzeneacetic acid, cyclohexyl ester

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  • Identifiers

    CAS number
    42288-75-5

    Molecular formula
    C14H18O2

    SMILES
    C1CCC(CC1)OC(=O)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Sweet 83.21%
    Floral 81.53%
    Honey 77.41%
    Fruity 72.25%
    Rose 72.03%
    Balsamic 55.19%
    Powdery 37.92%
    Chocolate 36.18%
    Cocoa 36.1%
    Waxy 32.12%

     

    Flavor
    Sweet 82.02%
    Floral 63.28%
    Rose 59.82%
    Honey 58.13%
    Balsam 48.68%
    Fruity 40.91%
    Waxy 38.04%
    Chocolate 33.96%
    Hyacinth 30.07%
    Cinnamon 28.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.95 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 140.27 ˚C est.

  • Synonyms

    • Cyclohexyl phenylacetate
    • 42288-75-5
    • Benzeneacetic acid, cyclohexyl ester
    • cyclohexyl 2-phenylacetate
    • AI3-11578
    • EINECS 255-751-9
    • NSC 406961
    • DTXSID4068379
    • NSC-67365
    • NSC-406961
    • cyclohexyl phenyl acetate
    • B7TH8BW2W5
    • SCHEMBL1301606
    • DTXCID7040079
    • NSC67365
    • NSC406961
    • Acetic acid, phenyl-, cyclohexyl ester
    • NS00012171
    • 255-751-9

  • Applications

    Benzeneacetic acid, cyclohexyl ester (CAS 42288-75-5) is typically used as an intermediate in organic synthesis; in perfumery and cosmetics it may serve as a fragrance component and/or fixative; in consumer care and household products it can be employed as a fragrance ingredient or odorant additive; in coatings, inks and polymer formulations it can act as a processing aid, solvent or plasticizer; and in industrial manufacture it may be considered as a solvent or carrier for certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 408.0
    methanol 496.02
    isopropanol 267.46
    water 0.23
    ethyl acetate 472.24
    n-propanol 307.82
    acetone 804.72
    n-butanol 284.31
    acetonitrile 498.58
    DMF 1155.11
    toluene 186.65
    isobutanol 221.4
    1,4-dioxane 895.91
    methyl acetate 394.47
    THF 1001.7
    2-butanone 455.23
    n-pentanol 186.51
    sec-butanol 195.4
    n-hexane 29.79
    ethylene glycol 64.36
    NMP 622.25
    cyclohexane 64.18
    DMSO 1074.86
    n-butyl acetate 356.01
    n-octanol 82.99
    chloroform 2064.96
    n-propyl acetate 285.44
    acetic acid 469.25
    dichloromethane 1779.4
    cyclohexanone 751.39
    propylene glycol 112.01
    isopropyl acetate 282.17
    DMAc 789.61
    2-ethoxyethanol 265.28
    isopentanol 235.32
    n-heptane 16.1
    ethyl formate 285.42
    1,2-dichloroethane 1226.8
    n-hexanol 214.78
    2-methoxyethanol 482.59
    isobutyl acetate 188.87
    tetrachloromethane 97.96
    n-pentyl acetate 166.09
    transcutol 1544.09
    n-heptanol 81.69
    ethylbenzene 127.54
    MIBK 251.98
    2-propoxyethanol 369.99
    tert-butanol 267.49
    MTBE 231.83
    2-butoxyethanol 194.91
    propionic acid 306.69
    o-xylene 115.62
    formic acid 114.4
    diethyl ether 374.08
    m-xylene 115.95
    p-xylene 167.28
    chlorobenzene 485.45
    dimethyl carbonate 191.75
    n-octane 8.43
    formamide 229.33
    cyclopentanone 870.76
    2-pentanone 394.22
    anisole 311.07
    cyclopentyl methyl ether 339.47
    gamma-butyrolactone 869.15
    1-methoxy-2-propanol 378.03
    pyridine 801.52
    3-pentanone 312.31
    furfural 743.32
    n-dodecane 9.59
    diethylene glycol 266.8
    diisopropyl ether 87.8
    tert-amyl alcohol 179.58
    acetylacetone 518.08
    n-hexadecane 11.14
    acetophenone 287.36
    methyl propionate 345.62
    isopentyl acetate 295.78
    trichloroethylene 1981.29
    n-nonanol 79.61
    cyclohexanol 250.99
    benzyl alcohol 221.75
    2-ethylhexanol 127.43
    isooctanol 74.28
    dipropyl ether 179.09
    1,2-dichlorobenzene 446.98
    ethyl lactate 133.94
    propylene carbonate 482.22
    n-methylformamide 367.35
    2-pentanol 156.43
    n-pentane 17.84
    1-propoxy-2-propanol 264.87
    1-methoxy-2-propyl acetate 304.41
    2-(2-methoxypropoxy) propanol 249.11
    mesitylene 81.07
    ε-caprolactone 535.22
    p-cymene 68.53
    epichlorohydrin 1067.69
    1,1,1-trichloroethane 666.52
    2-aminoethanol 157.3
    morpholine-4-carbaldehyde 627.69
    sulfolane 869.95
    2,2,4-trimethylpentane 13.38
    2-methyltetrahydrofuran 525.42
    n-hexyl acetate 236.27
    isooctane 11.44
    2-(2-butoxyethoxy)ethanol 351.17
    sec-butyl acetate 187.43
    tert-butyl acetate 258.06
    decalin 33.25
    glycerin 149.99
    diglyme 694.24
    acrylic acid 281.43
    isopropyl myristate 100.43
    n-butyric acid 468.58
    acetyl acetate 319.15
    di(2-ethylhexyl) phthalate 105.0
    ethyl propionate 246.07
    nitromethane 861.11
    1,2-diethoxyethane 416.3
    benzonitrile 359.53
    trioctyl phosphate 66.12
    1-bromopropane 482.71
    gamma-valerolactone 899.01
    n-decanol 62.17
    triethyl phosphate 113.86
    4-methyl-2-pentanol 103.45
    propionitrile 359.79
    vinylene carbonate 462.05
    1,1,2-trichlorotrifluoroethane 585.21
    DMS 257.61
    cumene 85.24
    2-octanol 53.52
    2-hexanone 294.44
    octyl acetate 123.09
    limonene 100.71
    1,2-dimethoxyethane 582.21
    ethyl orthosilicate 101.98
    tributyl phosphate 96.8
    diacetone alcohol 269.96
    N,N-dimethylaniline 181.65
    acrylonitrile 466.87
    aniline 275.87
    1,3-propanediol 247.06
    bromobenzene 523.46
    dibromomethane 1055.82
    1,1,2,2-tetrachloroethane 1684.3
    2-methyl-cyclohexyl acetate 180.26
    tetrabutyl urea 123.24
    diisobutyl methanol 76.97
    2-phenylethanol 205.71
    styrene 199.73
    dioctyl adipate 164.16
    dimethyl sulfate 273.55
    ethyl butyrate 248.44
    methyl lactate 181.09
    butyl lactate 159.21
    diethyl carbonate 183.04
    propanediol butyl ether 187.06
    triethyl orthoformate 162.92
    p-tert-butyltoluene 63.44
    methyl 4-tert-butylbenzoate 204.29
    morpholine 878.81
    tert-butylamine 156.84
    n-dodecanol 49.87
    dimethoxymethane 484.98
    ethylene carbonate 408.75
    cyrene 193.95
    2-ethoxyethyl acetate 262.81
    2-ethylhexyl acetate 222.77
    1,2,4-trichlorobenzene 475.18
    4-methylpyridine 593.58
    dibutyl ether 164.18
    2,6-dimethyl-4-heptanol 76.97
    DEF 429.5
    dimethyl isosorbide 381.53
    tetrachloroethylene 896.58
    eugenol 204.57
    triacetin 267.14
    span 80 198.23
    1,4-butanediol 90.69
    1,1-dichloroethane 922.58
    2-methyl-1-pentanol 166.85
    methyl formate 303.91
    2-methyl-1-butanol 196.23
    n-decane 14.24
    butyronitrile 370.19
    3,7-dimethyl-1-octanol 104.46
    1-chlorooctane 77.73
    1-chlorotetradecane 34.53
    n-nonane 12.49
    undecane 11.31
    tert-butylcyclohexane 26.2
    cyclooctane 15.86
    cyclopentanol 263.54
    tetrahydropyran 754.18
    tert-amyl methyl ether 153.4
    2,5,8-trioxanonane 450.07
    1-hexene 151.81
    2-isopropoxyethanol 194.18
    2,2,2-trifluoroethanol 148.42
    methyl butyrate 352.23

    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