Allyl cyclohexanevalerate

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  • Identifiers

    CAS number
    7493-68-7

    Molecular formula
    C14H24O2

    SMILES
    C=CCOC(=O)CCCCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 91.46%
    Sweet 74.94%
    Pineapple 73.04%
    Peach 54.76%
    Fatty 54.54%
    Waxy 53.61%
    Apricot 46.03%
    Winey 40.63%
    Pear 38.55%
    Green 35.47%

     

    Flavor
    Fruity 71.14%
    Waxy 50.08%
    Green 45.52%
    Tropical 38.34%
    Oily 35.34%
    Pineapple 33.19%
    Fruit 33.16%
    Fatty 32.07%
    Pear 29.99%
    Apple 28.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.62 (neutral)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 119.00 °C. @ 1.00 mm Hg

    Flash point

    • 130.43 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in ethanol, essential oils and flavour materials, and poorly soluble in propylene glycol

  • Synonyms

    • 7493-68-7
    • Allyl cyclohexanevalerate
    • allylcyclohexanevalerate
    • Allyl 5-cyclohexylpentanoate
    • Cyclohexanepentanoic acid, 2-propenyl ester
    • 2-Propenyl cyclohexanepentanoate
    • prop-2-enyl 5-cyclohexylpentanoate
    • Allyl cyclohexylvalerate
    • Allyl cyclohexane valerate
    • 2-Propen-1-yl cyclohexanevalerate
    • Allyl hexahydrophenylvalerate
    • 2-Propen-1-yl cyclohexanepentanoate
    • FEMA No. 2027
    • ALLYL CYCLOHEXANEPENTANOATE
    • UNII-BWA3BL8KX5
    • BWA3BL8KX5
    • Cyclohexanevaleric acid, allyl ester
    • PROP-2-EN-1-YL 5-CYCLOHEXYLPENTANOATE
    • DTXSID50225908
    • ALLYL CYCLOHEXANEVALERATE [FHFI]
    • ALLYL CYCLOHEXANE VALERATE [USP-RS]
    • ALLYL CYCLOHEXANE VALERATE (USP-RS)
    • allyl cyclohexyl valerate
    • Allyl5-cyclohexylpentanoate
    • SCHEMBL874452
    • FEMA 2027
    • DTXCID40148399
    • CHEBI:168985
    • NDXGAVFJHHVIQN-UHFFFAOYSA-N
    • HAA49368
    • LMFA07010745
    • AKOS024257651
    • AS-58096
    • NS00022752
    • A10911
    • Q27274925
    • 616-172-0

  • Applications

    Allyl cyclohexanevalerate (CAS 7493-68-7) is primarily used as a fragrance ingredient and fixative in perfumery, contributing a cyclohexyl character to scents and personal-care formulations. It may function as an aroma component and solvent in cosmetics and household-care products, aiding fragrance delivery and stability. As an allyl ester, it can serve as an intermediate in the synthesis of other esters or fragrance-related derivatives in industrial manufacturing. In coatings, inks, and related polymer systems, the allyl group enables radical polymerization, allowing it to act as a reactive monomer or crosslinking agent in UV-curable formulations. Practical use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 797.61
    methanol 630.76
    isopropanol 810.64
    water 0.01
    ethyl acetate 2318.12
    n-propanol 727.61
    acetone 2608.72
    n-butanol 758.64
    acetonitrile 1012.28
    DMF 1685.27
    toluene 949.1
    isobutanol 614.23
    1,4-dioxane 1649.15
    methyl acetate 1318.26
    THF 3364.62
    2-butanone 2211.71
    n-pentanol 538.93
    sec-butanol 752.17
    n-hexane 161.3
    ethylene glycol 36.37
    NMP 1329.32
    cyclohexane 297.38
    DMSO 2546.89
    n-butyl acetate 1460.27
    n-octanol 220.01
    chloroform 3654.95
    n-propyl acetate 1393.41
    acetic acid 521.39
    dichloromethane 3605.01
    cyclohexanone 3006.61
    propylene glycol 130.88
    isopropyl acetate 1425.79
    DMAc 1352.78
    2-ethoxyethanol 743.95
    isopentanol 785.8
    n-heptane 61.89
    ethyl formate 774.19
    1,2-dichloroethane 2724.98
    n-hexanol 528.39
    2-methoxyethanol 1103.49
    isobutyl acetate 796.61
    tetrachloromethane 414.39
    n-pentyl acetate 813.58
    transcutol 4076.13
    n-heptanol 209.68
    ethylbenzene 424.09
    MIBK 1121.71
    2-propoxyethanol 955.62
    tert-butanol 1009.5
    MTBE 1635.96
    2-butoxyethanol 497.14
    propionic acid 579.78
    o-xylene 480.26
    formic acid 83.18
    diethyl ether 1772.75
    m-xylene 559.0
    p-xylene 502.52
    chlorobenzene 1255.89
    dimethyl carbonate 354.62
    n-octane 25.35
    formamide 195.85
    cyclopentanone 2793.04
    2-pentanone 2082.34
    anisole 832.42
    cyclopentyl methyl ether 1742.08
    gamma-butyrolactone 2497.79
    1-methoxy-2-propanol 1085.59
    pyridine 1904.92
    3-pentanone 1236.98
    furfural 1755.98
    n-dodecane 18.23
    diethylene glycol 404.72
    diisopropyl ether 493.06
    tert-amyl alcohol 878.38
    acetylacetone 1857.79
    n-hexadecane 22.63
    acetophenone 749.21
    methyl propionate 1270.24
    isopentyl acetate 1226.2
    trichloroethylene 4453.27
    n-nonanol 201.56
    cyclohexanol 918.71
    benzyl alcohol 534.13
    2-ethylhexanol 383.98
    isooctanol 211.37
    dipropyl ether 684.14
    1,2-dichlorobenzene 1076.55
    ethyl lactate 346.46
    propylene carbonate 1281.57
    n-methylformamide 620.77
    2-pentanol 637.85
    n-pentane 100.14
    1-propoxy-2-propanol 836.98
    1-methoxy-2-propyl acetate 1172.19
    2-(2-methoxypropoxy) propanol 567.95
    mesitylene 350.22
    ε-caprolactone 1992.02
    p-cymene 214.19
    epichlorohydrin 3237.38
    1,1,1-trichloroethane 2311.63
    2-aminoethanol 167.35
    morpholine-4-carbaldehyde 1276.07
    sulfolane 2697.34
    2,2,4-trimethylpentane 61.77
    2-methyltetrahydrofuran 2609.4
    n-hexyl acetate 903.64
    isooctane 55.74
    2-(2-butoxyethoxy)ethanol 848.19
    sec-butyl acetate 945.59
    tert-butyl acetate 1370.06
    decalin 119.39
    glycerin 163.14
    diglyme 1671.16
    acrylic acid 356.68
    isopropyl myristate 302.77
    n-butyric acid 1299.13
    acetyl acetate 954.3
    di(2-ethylhexyl) phthalate 239.53
    ethyl propionate 1111.25
    nitromethane 1363.63
    1,2-diethoxyethane 1597.86
    benzonitrile 897.63
    trioctyl phosphate 163.69
    1-bromopropane 1667.41
    gamma-valerolactone 2668.65
    n-decanol 142.22
    triethyl phosphate 306.19
    4-methyl-2-pentanol 378.45
    propionitrile 915.53
    vinylene carbonate 970.04
    1,1,2-trichlorotrifluoroethane 1344.76
    DMS 640.24
    cumene 254.46
    2-octanol 178.27
    2-hexanone 1310.83
    octyl acetate 350.46
    limonene 359.59
    1,2-dimethoxyethane 1603.98
    ethyl orthosilicate 297.65
    tributyl phosphate 251.23
    diacetone alcohol 1039.33
    N,N-dimethylaniline 454.69
    acrylonitrile 957.19
    aniline 862.09
    1,3-propanediol 385.26
    bromobenzene 1501.29
    dibromomethane 2436.72
    1,1,2,2-tetrachloroethane 3599.29
    2-methyl-cyclohexyl acetate 571.53
    tetrabutyl urea 307.76
    diisobutyl methanol 250.98
    2-phenylethanol 493.23
    styrene 623.3
    dioctyl adipate 443.3
    dimethyl sulfate 567.48
    ethyl butyrate 896.89
    methyl lactate 370.0
    butyl lactate 497.76
    diethyl carbonate 526.41
    propanediol butyl ether 457.82
    triethyl orthoformate 543.05
    p-tert-butyltoluene 211.9
    methyl 4-tert-butylbenzoate 538.41
    morpholine 2213.55
    tert-butylamine 610.41
    n-dodecanol 106.43
    dimethoxymethane 1205.4
    ethylene carbonate 905.45
    cyrene 449.42
    2-ethoxyethyl acetate 1053.44
    2-ethylhexyl acetate 894.02
    1,2,4-trichlorobenzene 1209.71
    4-methylpyridine 1887.82
    dibutyl ether 682.19
    2,6-dimethyl-4-heptanol 250.98
    DEF 1627.53
    dimethyl isosorbide 1007.68
    tetrachloroethylene 1975.79
    eugenol 471.7
    triacetin 757.07
    span 80 489.3
    1,4-butanediol 140.99
    1,1-dichloroethane 2753.69
    2-methyl-1-pentanol 550.95
    methyl formate 439.12
    2-methyl-1-butanol 677.05
    n-decane 36.07
    butyronitrile 1111.64
    3,7-dimethyl-1-octanol 323.47
    1-chlorooctane 245.23
    1-chlorotetradecane 79.4
    n-nonane 35.69
    undecane 24.33
    tert-butylcyclohexane 100.07
    cyclooctane 80.43
    cyclopentanol 859.09
    tetrahydropyran 2672.62
    tert-amyl methyl ether 988.56
    2,5,8-trioxanonane 943.54
    1-hexene 693.51
    2-isopropoxyethanol 626.98
    2,2,2-trifluoroethanol 151.38
    methyl butyrate 1535.42

    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