Phenylmethyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    22733-94-4

    Molecular formula
    C14H18O2

    SMILES
    C1CCC(CC1)C(=O)OCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.03%
    Sweet 66.13%
    Floral 62.46%
    Balsamic 55.4%
    Green 42.62%
    Rose 37.54%
    Honey 35.1%
    Pineapple 33.82%
    Jasmin 33.38%
    Berry 33.11%

     

    Flavor
    Fruity 76.2%
    Balsam 49.28%
    Pineapple 48.48%
    Sweet 38.35%
    Cheese 38.25%
    Fruit 36.86%
    Floral 36.31%
    Rose 34.38%
    Berry 34.12%
    Strawberry 32.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.77 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 141.27 ˚C est.

  • Synonyms

    • Benzyl cyclohexanecarboxylate
    • 22733-94-4
    • DTXSID40945406
    • Phenylmethyl cyclohexanecarboxylate
    • RefChem:1095052
    • DTXCID501373724
    • 245-181-9
    • Cyclohexanecarboxylic acid, phenylmethyl ester
    • EINECS 245-181-9
    • Cyclohexanecarboxylic acid, benzyl ester
    • AI3-19661
    • cyclohexanecarboxylic acid phenylmethyl ester
    • SCHEMBL522278
    • Benzyl cyclohexanecarboxylate #
    • SCHEMBL2905964
    • SCHEMBL3042193
    • SCHEMBL3367169
    • AKOS017001343
    • DB-119008
    • NS00052413
    • 22733-94-4

  • Applications

    Phenylmethyl cyclohexanecarboxylate, CAS 22733-94-4, is primarily used as a fragrance ingredient and a fixing agent in perfumery and cosmetics, helping to extend and stabilize the scent in perfumes, personal care products, and detergents. It is also commonly regarded as a solvent or carrier for other fragrance components within cosmetic formulations and cleaning products, and can serve as an intermediate or building block in the synthesis of other aroma compounds. In industrial contexts, it may be used as a fragrance additive in coatings, inks, and household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 407.0
    methanol 505.05
    isopropanol 265.42
    water 0.38
    ethyl acetate 994.82
    n-propanol 325.26
    acetone 1059.48
    n-butanol 354.3
    acetonitrile 1009.29
    DMF 1220.67
    toluene 403.9
    isobutanol 273.49
    1,4-dioxane 1160.07
    methyl acetate 792.97
    THF 898.05
    2-butanone 823.14
    n-pentanol 229.57
    sec-butanol 236.97
    n-hexane 43.83
    ethylene glycol 40.63
    NMP 601.33
    cyclohexane 95.91
    DMSO 695.19
    n-butyl acetate 730.26
    n-octanol 139.92
    chloroform 3105.75
    n-propyl acetate 680.95
    acetic acid 687.83
    dichloromethane 2877.2
    cyclohexanone 1213.16
    propylene glycol 67.6
    isopropyl acetate 586.58
    DMAc 996.19
    2-ethoxyethanol 377.59
    isopentanol 376.95
    n-heptane 23.07
    ethyl formate 600.89
    1,2-dichloroethane 2130.1
    n-hexanol 274.2
    2-methoxyethanol 595.82
    isobutyl acetate 415.71
    tetrachloromethane 172.44
    n-pentyl acetate 364.86
    transcutol 2461.07
    n-heptanol 144.81
    ethylbenzene 271.72
    MIBK 440.95
    2-propoxyethanol 473.78
    tert-butanol 324.5
    MTBE 440.07
    2-butoxyethanol 320.77
    propionic acid 433.8
    o-xylene 239.84
    formic acid 170.11
    diethyl ether 689.54
    m-xylene 227.87
    p-xylene 340.88
    chlorobenzene 1009.98
    dimethyl carbonate 294.99
    n-octane 14.29
    formamide 427.65
    cyclopentanone 1071.22
    2-pentanone 714.1
    anisole 594.26
    cyclopentyl methyl ether 423.49
    gamma-butyrolactone 1211.19
    1-methoxy-2-propanol 429.17
    pyridine 1374.85
    3-pentanone 559.15
    furfural 1244.96
    n-dodecane 13.59
    diethylene glycol 268.65
    diisopropyl ether 166.29
    tert-amyl alcohol 268.2
    acetylacetone 848.74
    n-hexadecane 16.24
    acetophenone 566.7
    methyl propionate 583.2
    isopentyl acetate 610.82
    trichloroethylene 3789.57
    n-nonanol 130.99
    cyclohexanol 321.34
    benzyl alcohol 339.9
    2-ethylhexanol 197.6
    isooctanol 141.36
    dipropyl ether 261.9
    1,2-dichlorobenzene 898.14
    ethyl lactate 207.89
    propylene carbonate 787.42
    n-methylformamide 592.93
    2-pentanol 229.23
    n-pentane 29.56
    1-propoxy-2-propanol 357.44
    1-methoxy-2-propyl acetate 504.98
    2-(2-methoxypropoxy) propanol 348.53
    mesitylene 152.03
    ε-caprolactone 999.92
    p-cymene 121.97
    epichlorohydrin 1731.49
    1,1,1-trichloroethane 1300.62
    2-aminoethanol 128.72
    morpholine-4-carbaldehyde 777.5
    sulfolane 957.74
    2,2,4-trimethylpentane 23.09
    2-methyltetrahydrofuran 636.42
    n-hexyl acetate 452.69
    isooctane 20.1
    2-(2-butoxyethoxy)ethanol 526.46
    sec-butyl acetate 437.79
    tert-butyl acetate 504.87
    decalin 52.62
    glycerin 110.53
    diglyme 1171.04
    acrylic acid 407.66
    isopropyl myristate 163.52
    n-butyric acid 810.62
    acetyl acetate 615.79
    di(2-ethylhexyl) phthalate 141.03
    ethyl propionate 540.19
    nitromethane 1559.34
    1,2-diethoxyethane 838.75
    benzonitrile 702.83
    trioctyl phosphate 93.51
    1-bromopropane 838.57
    gamma-valerolactone 1336.95
    n-decanol 92.55
    triethyl phosphate 181.1
    4-methyl-2-pentanol 172.45
    propionitrile 701.49
    vinylene carbonate 830.77
    1,1,2-trichlorotrifluoroethane 820.25
    DMS 432.89
    cumene 167.15
    2-octanol 105.92
    2-hexanone 569.25
    octyl acetate 201.21
    limonene 160.97
    1,2-dimethoxyethane 948.06
    ethyl orthosilicate 167.66
    tributyl phosphate 142.06
    diacetone alcohol 411.5
    N,N-dimethylaniline 299.77
    acrylonitrile 997.39
    aniline 463.11
    1,3-propanediol 273.36
    bromobenzene 1072.98
    dibromomethane 1715.18
    1,1,2,2-tetrachloroethane 2717.18
    2-methyl-cyclohexyl acetate 309.0
    tetrabutyl urea 175.43
    diisobutyl methanol 121.72
    2-phenylethanol 316.84
    styrene 413.14
    dioctyl adipate 246.1
    dimethyl sulfate 352.72
    ethyl butyrate 507.39
    methyl lactate 221.69
    butyl lactate 263.19
    diethyl carbonate 359.93
    propanediol butyl ether 257.81
    triethyl orthoformate 290.8
    p-tert-butyltoluene 108.59
    methyl 4-tert-butylbenzoate 338.44
    morpholine 1039.4
    tert-butylamine 208.96
    n-dodecanol 69.54
    dimethoxymethane 670.0
    ethylene carbonate 696.05
    cyrene 253.26
    2-ethoxyethyl acetate 544.99
    2-ethylhexyl acetate 443.14
    1,2,4-trichlorobenzene 853.53
    4-methylpyridine 1145.44
    dibutyl ether 293.06
    2,6-dimethyl-4-heptanol 121.72
    DEF 787.9
    dimethyl isosorbide 549.64
    tetrachloroethylene 1531.34
    eugenol 342.09
    triacetin 430.8
    span 80 259.24
    1,4-butanediol 95.58
    1,1-dichloroethane 1702.96
    2-methyl-1-pentanol 263.47
    methyl formate 481.47
    2-methyl-1-butanol 297.85
    n-decane 22.17
    butyronitrile 760.91
    3,7-dimethyl-1-octanol 169.63
    1-chlorooctane 137.9
    1-chlorotetradecane 51.02
    n-nonane 19.42
    undecane 16.63
    tert-butylcyclohexane 42.23
    cyclooctane 25.74
    cyclopentanol 254.22
    tetrahydropyran 993.22
    tert-amyl methyl ether 281.15
    2,5,8-trioxanonane 677.69
    1-hexene 231.04
    2-isopropoxyethanol 289.51
    2,2,2-trifluoroethanol 210.4
    methyl butyrate 824.73

    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