Allyl cyclohexyl hexanoate

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  • Identifiers

    CAS number
    7493-66-5

    Molecular formula
    C15H26O2

    SMILES
    C=CCOC(=O)CCCCCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 88.24%
    Sweet 71.18%
    Pineapple 66.65%
    Fatty 61.05%
    Waxy 54.14%
    Peach 54.12%
    Apricot 44.02%
    Winey 41.38%
    Oily 36.29%
    Pear 35.93%

     

    Flavor
    Fruity 70.06%
    Waxy 56.8%
    Green 45.46%
    Oily 38.31%
    Tropical 37.0%
    Fatty 33.62%
    Fruit 31.51%
    Sweet 31.0%
    Pear 30.79%
    Creamy 29.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.42 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 136.01 ˚C est.

  • Synonyms

    • ALLYL CYCLOHEXANEHEXANOATE
    • Allyl cyclohexyl hexanoate
    • 7493-66-5
    • prop-2-enyl 6-cyclohexylhexanoate
    • Allyl cyclohexanecaproate
    • 2-Propenyl cyclohexanehexanoate
    • Cyclohexanehexanoic acid, 2-propenyl ester
    • 2-Propen-1-yl cyclohexanecaproate
    • Allyl 6-cyclohexanehexanoate
    • Allyl hexahydrophenylhexanoate
    • Cyclohexanehexanoic acid, allyl ester
    • FEMA No. 2025
    • SPW8K04M0V
    • NSC-8255
    • DTXSID90225907
    • NSC 8255
    • prop-2-en-1-yl 6-cyclohexylhexanoate
    • ALLYL CYCLOHEXANEHEXANOATE [FHFI]
    • CYCLOHEXANEHEXANOIC ACID, 2-PROPEN-1-YL ESTER
    • UNII-SPW8K04M0V
    • SCHEMBL872847
    • DTXCID80148398
    • NSC8255
    • MMVNCZIEXUKMHF-UHFFFAOYSA-N
    • LMFA07010744
    • NS00022751
    • Q27289331
    • 616-171-5

  • Applications

    Allyl cyclohexyl hexanoate, CAS 7493-66-5, is primarily used as a fragrance ingredient in the perfumery and cosmetics sectors, functioning as an aroma compound and may serve as a fixative to help extend scent. It is also evaluated for personal care applications such as creams, lotions, and shampoos where a fragrance note is desired. Additionally, it can be used in household products like air fresheners and scented laundry products to impart or enhance aroma. In industrial manufacturing, the compound may act as an intermediate for the synthesis of other fragrance-related compounds and is considered for fragrance-related formulations used in materials or specialty scent additives in industrial systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 592.36
    methanol 428.42
    isopropanol 659.97
    water 0.01
    ethyl acetate 1635.77
    n-propanol 545.74
    acetone 1470.6
    n-butanol 587.18
    acetonitrile 613.92
    DMF 849.94
    toluene 594.01
    isobutanol 452.67
    1,4-dioxane 1313.46
    methyl acetate 857.71
    THF 2610.37
    2-butanone 1358.67
    n-pentanol 418.18
    sec-butanol 554.23
    n-hexane 110.7
    ethylene glycol 18.75
    NMP 772.8
    cyclohexane 279.31
    DMSO 1242.58
    n-butyl acetate 1090.34
    n-octanol 180.99
    chloroform 2446.62
    n-propyl acetate 1075.79
    acetic acid 327.7
    dichloromethane 2428.26
    cyclohexanone 2081.59
    propylene glycol 76.7
    isopropyl acetate 1122.68
    DMAc 855.42
    2-ethoxyethanol 548.7
    isopentanol 613.76
    n-heptane 59.89
    ethyl formate 553.71
    1,2-dichloroethane 1759.49
    n-hexanol 413.64
    2-methoxyethanol 721.91
    isobutyl acetate 642.67
    tetrachloromethane 291.3
    n-pentyl acetate 674.83
    transcutol 2675.48
    n-heptanol 176.31
    ethylbenzene 293.26
    MIBK 843.47
    2-propoxyethanol 694.3
    tert-butanol 793.79
    MTBE 1159.65
    2-butoxyethanol 396.27
    propionic acid 356.48
    o-xylene 329.4
    formic acid 42.38
    diethyl ether 1270.9
    m-xylene 374.78
    p-xylene 367.41
    chlorobenzene 813.78
    dimethyl carbonate 193.24
    n-octane 25.42
    formamide 94.96
    cyclopentanone 1759.14
    2-pentanone 1430.05
    anisole 569.64
    cyclopentyl methyl ether 1222.43
    gamma-butyrolactone 1549.64
    1-methoxy-2-propanol 768.84
    pyridine 1265.02
    3-pentanone 781.46
    furfural 1082.94
    n-dodecane 18.69
    diethylene glycol 260.0
    diisopropyl ether 369.92
    tert-amyl alcohol 608.47
    acetylacetone 1264.59
    n-hexadecane 23.01
    acetophenone 531.57
    methyl propionate 769.61
    isopentyl acetate 955.6
    trichloroethylene 2720.78
    n-nonanol 169.51
    cyclohexanol 709.46
    benzyl alcohol 366.48
    2-ethylhexanol 316.76
    isooctanol 180.02
    dipropyl ether 593.14
    1,2-dichlorobenzene 717.02
    ethyl lactate 255.75
    propylene carbonate 880.77
    n-methylformamide 316.26
    2-pentanol 503.74
    n-pentane 74.09
    1-propoxy-2-propanol 647.01
    1-methoxy-2-propyl acetate 868.64
    2-(2-methoxypropoxy) propanol 423.4
    mesitylene 249.15
    ε-caprolactone 1464.45
    p-cymene 171.44
    epichlorohydrin 2112.94
    1,1,1-trichloroethane 1584.77
    2-aminoethanol 96.64
    morpholine-4-carbaldehyde 849.25
    sulfolane 1530.35
    2,2,4-trimethylpentane 46.5
    2-methyltetrahydrofuran 1868.69
    n-hexyl acetate 724.7
    isooctane 43.15
    2-(2-butoxyethoxy)ethanol 619.82
    sec-butyl acetate 739.02
    tert-butyl acetate 1040.94
    decalin 98.09
    glycerin 94.44
    diglyme 1262.99
    acrylic acid 197.03
    isopropyl myristate 248.2
    n-butyric acid 990.83
    acetyl acetate 708.35
    di(2-ethylhexyl) phthalate 187.22
    ethyl propionate 828.71
    nitromethane 785.12
    1,2-diethoxyethane 1180.53
    benzonitrile 603.64
    trioctyl phosphate 132.22
    1-bromopropane 1187.05
    gamma-valerolactone 1810.06
    n-decanol 119.45
    triethyl phosphate 250.66
    4-methyl-2-pentanol 310.85
    propionitrile 625.47
    vinylene carbonate 650.49
    1,1,2-trichlorotrifluoroethane 815.93
    DMS 440.87
    cumene 189.21
    2-octanol 149.92
    2-hexanone 922.88
    octyl acetate 285.09
    limonene 294.12
    1,2-dimethoxyethane 1310.36
    ethyl orthosilicate 248.28
    tributyl phosphate 189.89
    diacetone alcohol 774.04
    N,N-dimethylaniline 322.1
    acrylonitrile 554.53
    aniline 508.91
    1,3-propanediol 257.19
    bromobenzene 976.34
    dibromomethane 1690.16
    1,1,2,2-tetrachloroethane 2303.46
    2-methyl-cyclohexyl acetate 474.98
    tetrabutyl urea 236.47
    diisobutyl methanol 212.58
    2-phenylethanol 358.02
    styrene 408.5
    dioctyl adipate 356.57
    dimethyl sulfate 298.71
    ethyl butyrate 763.45
    methyl lactate 222.06
    butyl lactate 384.32
    diethyl carbonate 421.74
    propanediol butyl ether 317.69
    triethyl orthoformate 460.72
    p-tert-butyltoluene 164.88
    methyl 4-tert-butylbenzoate 416.71
    morpholine 1717.04
    tert-butylamine 469.83
    n-dodecanol 90.89
    dimethoxymethane 773.38
    ethylene carbonate 647.57
    cyrene 333.99
    2-ethoxyethyl acetate 786.58
    2-ethylhexyl acetate 700.77
    1,2,4-trichlorobenzene 780.02
    4-methylpyridine 1242.66
    dibutyl ether 565.15
    2,6-dimethyl-4-heptanol 212.58
    DEF 1051.01
    dimethyl isosorbide 760.21
    tetrachloroethylene 1278.37
    eugenol 347.35
    triacetin 576.99
    span 80 378.63
    1,4-butanediol 92.41
    1,1-dichloroethane 1834.84
    2-methyl-1-pentanol 415.49
    methyl formate 216.79
    2-methyl-1-butanol 492.92
    n-decane 36.72
    butyronitrile 851.3
    3,7-dimethyl-1-octanol 254.79
    1-chlorooctane 205.22
    1-chlorotetradecane 68.12
    n-nonane 35.37
    undecane 24.66
    tert-butylcyclohexane 77.9
    cyclooctane 70.09
    cyclopentanol 615.17
    tetrahydropyran 2155.78
    tert-amyl methyl ether 706.12
    2,5,8-trioxanonane 731.88
    1-hexene 489.82
    2-isopropoxyethanol 476.36
    2,2,2-trifluoroethanol 87.9
    methyl butyrate 1150.29

    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