Allyl cyclohexyloxyacetate

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  • Identifiers

    CAS number
    68901-15-5

    Molecular formula
    C11H18O3

    SMILES
    C=CCOC(=O)COC1CCCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fruity 92.72%
    Green 75.09%
    Herbal 61.37%
    Sweet 52.52%
    Pineapple 48.37%
    Woody 45.33%
    Apple 41.17%
    Fresh 39.3%
    Tropical 36.54%
    Spicy 33.7%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.51 (neutral)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point est.
    117.38 ˚C

  • Synonyms

    • 68901-15-5
    • Allyl cyclohexyloxyacetate
    • Galbanum oxyacetate
    • Acetic acid, (cyclohexyloxy)-, 2-propenyl ester
    • Allyl (cyclohexyloxy)acetate
    • allyl 2-(cyclohexyloxy)acetate
    • Allyl cyclohexyloxyacetate (500 ppm BHT as inhibitor)
    • prop-2-enyl 2-cyclohexyloxyacetate
    • EINECS 272-657-3
    • ISOANANAT
    • ISOANANATE
    • B2R58HW644
    • Cyclohexyloxyacetic acid 2-propenyl ester
    • Acetic acid, 2-(cyclohexyloxy)-, 2-propen-1-yl ester
    • SCHEMBL273853
    • UNII-B2R58HW644
    • DTXSID1071824
    • MBUYSYKXSMTIPP-UHFFFAOYSA-
    • MBUYSYKXSMTIPP-UHFFFAOYSA-N
    • BCP29791
    • cyclohexyl oxyacetic acid allyl ester
    • MFCD00083564
    • AKOS006240452
    • 2-Propen-1-yl 2-(cyclohexyloxy)acetate
    • AC-29004
    • AS-15342
    • NS00011940
    • F74735
    • Allyl cyclohexyloxyacetate;Cyclohexyloxyacetic acid 2-propenyl ester
    • 272-657-3
    • InChI=1/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2
    • Cyclogalbanate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 312.93
    methanol 391.33
    isopropanol 182.64
    water 0.09
    ethyl acetate 670.39
    n-propanol 204.03
    acetone 602.13
    n-butanol 198.33
    acetonitrile 403.17
    DMF 518.54
    toluene 255.71
    isobutanol 147.51
    1,4-dioxane 513.76
    methyl acetate 455.1
    THF 921.04
    2-butanone 471.95
    n-pentanol 141.01
    sec-butanol 169.24
    n-hexane 20.64
    ethylene glycol 44.09
    NMP 502.45
    cyclohexane 71.23
    DMSO 1019.6
    n-butyl acetate 354.03
    n-octanol 63.03
    chloroform 1455.9
    n-propyl acetate 281.08
    acetic acid 412.84
    dichloromethane 1626.83
    cyclohexanone 748.18
    propylene glycol 71.67
    isopropyl acetate 351.86
    DMAc 488.12
    2-ethoxyethanol 256.88
    isopentanol 203.63
    n-heptane 14.09
    ethyl formate 296.97
    1,2-dichloroethane 1183.98
    n-hexanol 159.84
    2-methoxyethanol 451.5
    isobutyl acetate 170.64
    tetrachloromethane 126.2
    n-pentyl acetate 161.65
    transcutol 1430.87
    n-heptanol 56.79
    ethylbenzene 119.16
    MIBK 257.02
    2-propoxyethanol 300.98
    tert-butanol 255.36
    MTBE 241.32
    2-butoxyethanol 148.88
    propionic acid 243.28
    o-xylene 157.93
    formic acid 111.26
    diethyl ether 352.58
    m-xylene 169.34
    p-xylene 154.35
    chlorobenzene 450.84
    dimethyl carbonate 151.46
    n-octane 6.88
    formamide 201.21
    cyclopentanone 792.55
    2-pentanone 438.38
    anisole 243.48
    cyclopentyl methyl ether 403.37
    gamma-butyrolactone 915.72
    1-methoxy-2-propanol 331.35
    pyridine 622.48
    3-pentanone 317.5
    furfural 757.48
    n-dodecane 6.99
    diethylene glycol 239.82
    diisopropyl ether 100.98
    tert-amyl alcohol 199.86
    acetylacetone 569.54
    n-hexadecane 8.36
    acetophenone 270.83
    methyl propionate 387.08
    isopentyl acetate 311.72
    trichloroethylene 2028.88
    n-nonanol 59.7
    cyclohexanol 248.16
    benzyl alcohol 199.28
    2-ethylhexanol 107.73
    isooctanol 54.1
    dipropyl ether 133.22
    1,2-dichlorobenzene 410.17
    ethyl lactate 123.92
    propylene carbonate 481.24
    n-methylformamide 238.27
    2-pentanol 147.09
    n-pentane 20.93
    1-propoxy-2-propanol 224.65
    1-methoxy-2-propyl acetate 343.88
    2-(2-methoxypropoxy) propanol 230.42
    mesitylene 106.42
    ε-caprolactone 576.53
    p-cymene 78.8
    epichlorohydrin 1169.08
    1,1,1-trichloroethane 766.13
    2-aminoethanol 100.65
    morpholine-4-carbaldehyde 493.21
    sulfolane 927.38
    2,2,4-trimethylpentane 16.56
    2-methyltetrahydrofuran 592.77
    n-hexyl acetate 219.45
    isooctane 14.5
    2-(2-butoxyethoxy)ethanol 303.04
    sec-butyl acetate 208.57
    tert-butyl acetate 325.1
    decalin 34.22
    glycerin 108.76
    diglyme 616.96
    acrylic acid 208.99
    isopropyl myristate 87.01
    n-butyric acid 433.55
    acetyl acetate 429.45
    di(2-ethylhexyl) phthalate 89.82
    ethyl propionate 274.0
    nitromethane 807.53
    1,2-diethoxyethane 397.75
    benzonitrile 322.55
    trioctyl phosphate 56.92
    1-bromopropane 493.57
    gamma-valerolactone 782.19
    n-decanol 45.32
    triethyl phosphate 111.3
    4-methyl-2-pentanol 100.42
    propionitrile 278.32
    vinylene carbonate 415.17
    1,1,2-trichlorotrifluoroethane 585.54
    DMS 251.32
    cumene 79.44
    2-octanol 41.15
    2-hexanone 238.19
    octyl acetate 99.47
    limonene 117.78
    1,2-dimethoxyethane 479.06
    ethyl orthosilicate 103.08
    tributyl phosphate 89.3
    diacetone alcohol 312.54
    N,N-dimethylaniline 147.19
    acrylonitrile 393.68
    aniline 260.88
    1,3-propanediol 182.85
    bromobenzene 538.88
    dibromomethane 1024.27
    1,1,2,2-tetrachloroethane 1558.79
    2-methyl-cyclohexyl acetate 178.27
    tetrabutyl urea 108.8
    diisobutyl methanol 79.28
    2-phenylethanol 189.48
    styrene 164.29
    dioctyl adipate 148.0
    dimethyl sulfate 234.89
    ethyl butyrate 241.9
    methyl lactate 168.02
    butyl lactate 142.47
    diethyl carbonate 184.08
    propanediol butyl ether 161.78
    triethyl orthoformate 153.66
    p-tert-butyltoluene 73.53
    methyl 4-tert-butylbenzoate 187.38
    morpholine 588.72
    tert-butylamine 150.45
    n-dodecanol 36.05
    dimethoxymethane 371.84
    ethylene carbonate 350.08
    cyrene 191.42
    2-ethoxyethyl acetate 280.89
    2-ethylhexyl acetate 229.98
    1,2,4-trichlorobenzene 470.81
    4-methylpyridine 526.49
    dibutyl ether 130.83
    2,6-dimethyl-4-heptanol 79.28
    DEF 410.88
    dimethyl isosorbide 382.02
    tetrachloroethylene 862.54
    eugenol 178.78
    triacetin 257.46
    span 80 176.84
    1,4-butanediol 67.94
    1,1-dichloroethane 918.85
    2-methyl-1-pentanol 150.13
    methyl formate 227.47
    2-methyl-1-butanol 159.89
    n-decane 10.79
    butyronitrile 299.9
    3,7-dimethyl-1-octanol 99.11
    1-chlorooctane 63.02
    1-chlorotetradecane 26.33
    n-nonane 9.87
    undecane 8.35
    tert-butylcyclohexane 25.04
    cyclooctane 21.12
    cyclopentanol 233.81
    tetrahydropyran 558.83
    tert-amyl methyl ether 187.41
    2,5,8-trioxanonane 412.06
    1-hexene 100.32
    2-isopropoxyethanol 186.77
    2,2,2-trifluoroethanol 118.64
    methyl butyrate 364.53

    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