Allyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    16491-63-7

    Molecular formula
    C10H16O2

    SMILES
    C=CCOC(=O)C1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.03%
    Pineapple 67.49%
    Sweet 62.63%
    Green 57.32%
    Apple 49.98%
    Tropical 48.02%
    Banana 38.2%
    Apricot 35.81%
    Berry 35.55%
    Waxy 35.12%

     

    Flavor
    Fruity 63.7%
    Pineapple 27.82%
    Fruit 27.3%
    Berry 26.73%
    Cheese 26.06%
    Fatty 22.72%
    Buttery 20.44%
    Caramel 20.0%
    Strawberry 19.76%
    Arrack 19.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.5 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 92.03 ˚C est.

  • Synonyms

    • Allyl cyclohexanecarboxylate
    • 16491-63-7
    • prop-2-enyl cyclohexanecarboxylate
    • Cyclohexanecarboxylic acid, 2-propenyl ester
    • CYCLOHEXANECARBOXYLIC ACID, 2-PROPEN-1-YL ESTER
    • TA9RCC6QNA
    • PROP-2-EN-1-YL CYCLOHEXANECARBOXYLATE
    • EINECS 240-556-3
    • Cyclohexanecarboxylic acid, allyl ester
    • UNII-TA9RCC6QNA
    • AI3-19784
    • Allyl cyclohexanecarboxylate #
    • SCHEMBL634058
    • DTXSID80167822
    • 2-Propen-1-yl cyclohexanecarboxylate
    • MFCD28015508
    • DB-243021
    • NS00025396
    • 16491-63-7

  • Applications

    Allyl cyclohexanecarboxylate (CAS number: 16491-63-7) is used mainly as a fragrance ingredient and fixative in perfumery and cosmetic formulations. It is also evaluated for use as a scent component in household products and cleaners. In industrial manufacturing, it can serve as an intermediate in the synthesis of other fragrance compounds. It may be incorporated into coatings and inks where odor considerations are relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 522.25
    methanol 490.55
    isopropanol 527.61
    water 0.25
    ethyl acetate 615.89
    n-propanol 493.63
    acetone 763.99
    n-butanol 548.23
    acetonitrile 580.81
    DMF 960.76
    toluene 405.53
    isobutanol 476.41
    1,4-dioxane 842.73
    methyl acetate 584.32
    THF 1074.91
    2-butanone 717.75
    n-pentanol 430.03
    sec-butanol 569.47
    n-hexane 109.96
    ethylene glycol 51.65
    NMP 760.13
    cyclohexane 193.78
    DMSO 617.61
    n-butyl acetate 777.7
    n-octanol 306.63
    chloroform 2571.84
    n-propyl acetate 515.67
    acetic acid 591.69
    dichloromethane 1951.01
    cyclohexanone 1188.48
    propylene glycol 109.62
    isopropyl acetate 420.65
    DMAc 716.05
    2-ethoxyethanol 377.78
    isopentanol 536.12
    n-heptane 59.67
    ethyl formate 510.19
    1,2-dichloroethane 1160.68
    n-hexanol 503.92
    2-methoxyethanol 521.13
    isobutyl acetate 336.33
    tetrachloromethane 265.39
    n-pentyl acetate 451.01
    transcutol 1540.84
    n-heptanol 252.49
    ethylbenzene 285.53
    MIBK 386.05
    2-propoxyethanol 550.8
    tert-butanol 573.51
    MTBE 497.09
    2-butoxyethanol 373.46
    propionic acid 470.35
    o-xylene 269.93
    formic acid 108.23
    diethyl ether 462.29
    m-xylene 270.39
    p-xylene 368.02
    chlorobenzene 837.65
    dimethyl carbonate 182.31
    n-octane 39.69
    formamide 173.29
    cyclopentanone 1102.61
    2-pentanone 590.08
    anisole 478.1
    cyclopentyl methyl ether 521.92
    gamma-butyrolactone 1134.76
    1-methoxy-2-propanol 428.19
    pyridine 1223.28
    3-pentanone 394.67
    furfural 1109.53
    n-dodecane 35.52
    diethylene glycol 290.78
    diisopropyl ether 171.03
    tert-amyl alcohol 555.8
    acetylacetone 538.29
    n-hexadecane 40.9
    acetophenone 483.87
    methyl propionate 410.47
    isopentyl acetate 646.22
    trichloroethylene 2370.08
    n-nonanol 257.29
    cyclohexanol 587.9
    benzyl alcohol 396.29
    2-ethylhexanol 334.6
    isooctanol 229.24
    dipropyl ether 296.87
    1,2-dichlorobenzene 703.86
    ethyl lactate 205.93
    propylene carbonate 744.2
    n-methylformamide 425.33
    2-pentanol 439.18
    n-pentane 80.62
    1-propoxy-2-propanol 459.67
    1-methoxy-2-propyl acetate 441.9
    2-(2-methoxypropoxy) propanol 376.25
    mesitylene 194.17
    ε-caprolactone 959.55
    p-cymene 185.36
    epichlorohydrin 1235.1
    1,1,1-trichloroethane 1133.87
    2-aminoethanol 152.21
    morpholine-4-carbaldehyde 688.59
    sulfolane 1056.45
    2,2,4-trimethylpentane 52.53
    2-methyltetrahydrofuran 810.14
    n-hexyl acetate 603.7
    isooctane 48.39
    2-(2-butoxyethoxy)ethanol 500.2
    sec-butyl acetate 347.71
    tert-butyl acetate 395.75
    decalin 100.8
    glycerin 136.38
    diglyme 864.67
    acrylic acid 391.28
    isopropyl myristate 231.02
    n-butyric acid 804.96
    acetyl acetate 411.4
    di(2-ethylhexyl) phthalate 200.38
    ethyl propionate 389.07
    nitromethane 848.04
    1,2-diethoxyethane 554.24
    benzonitrile 773.11
    trioctyl phosphate 149.09
    1-bromopropane 733.5
    gamma-valerolactone 1088.51
    n-decanol 182.55
    triethyl phosphate 192.56
    4-methyl-2-pentanol 268.89
    propionitrile 631.93
    vinylene carbonate 758.77
    1,1,2-trichlorotrifluoroethane 713.0
    DMS 367.25
    cumene 202.78
    2-octanol 218.69
    2-hexanone 528.8
    octyl acetate 282.65
    limonene 254.31
    1,2-dimethoxyethane 742.43
    ethyl orthosilicate 183.24
    tributyl phosphate 191.9
    diacetone alcohol 404.61
    N,N-dimethylaniline 304.14
    acrylonitrile 738.65
    aniline 451.43
    1,3-propanediol 305.65
    bromobenzene 967.16
    dibromomethane 1401.39
    1,1,2,2-tetrachloroethane 1943.2
    2-methyl-cyclohexyl acetate 343.47
    tetrabutyl urea 237.89
    diisobutyl methanol 208.12
    2-phenylethanol 393.78
    styrene 401.42
    dioctyl adipate 304.51
    dimethyl sulfate 257.95
    ethyl butyrate 469.29
    methyl lactate 205.47
    butyl lactate 326.16
    diethyl carbonate 334.78
    propanediol butyl ether 357.02
    triethyl orthoformate 303.37
    p-tert-butyltoluene 170.94
    methyl 4-tert-butylbenzoate 368.5
    morpholine 879.98
    tert-butylamine 398.16
    n-dodecanol 137.47
    dimethoxymethane 403.1
    ethylene carbonate 601.18
    cyrene 294.3
    2-ethoxyethyl acetate 457.29
    2-ethylhexyl acetate 494.88
    1,2,4-trichlorobenzene 781.6
    4-methylpyridine 1116.18
    dibutyl ether 397.55
    2,6-dimethyl-4-heptanol 208.12
    DEF 638.55
    dimethyl isosorbide 545.62
    tetrachloroethylene 1130.94
    eugenol 356.9
    triacetin 418.98
    span 80 352.65
    1,4-butanediol 138.25
    1,1-dichloroethane 1299.34
    2-methyl-1-pentanol 433.67
    methyl formate 337.01
    2-methyl-1-butanol 483.27
    n-decane 59.11
    butyronitrile 800.87
    3,7-dimethyl-1-octanol 305.91
    1-chlorooctane 246.92
    1-chlorotetradecane 97.98
    n-nonane 58.26
    undecane 44.17
    tert-butylcyclohexane 85.82
    cyclooctane 58.4
    cyclopentanol 548.25
    tetrahydropyran 988.38
    tert-amyl methyl ether 365.38
    2,5,8-trioxanonane 562.46
    1-hexene 362.53
    2-isopropoxyethanol 306.97
    2,2,2-trifluoroethanol 164.01
    methyl butyrate 622.33

    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