Cyclohexanol, 2-methoxy-4-propyl-, 1-acetate

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  • Identifiers

    CAS number
    67845-58-3

    Molecular formula
    C12H22O3

    SMILES
    CCCC1CCC(C(C1)OC)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.95%
    Sweet 54.36%
    Herbal 52.87%
    Mint 48.34%
    Fresh 48.13%
    Fruity 47.98%
    Jasmin 39.93%
    Green 35.65%
    Woody 34.72%
    Rose 30.05%

     

    Flavor
    Herbal 53.94%
    Fruity 53.35%
    Sweet 48.42%
    Tropical 40.95%
    Minty 40.04%
    Fruit 39.13%
    Green 34.22%
    Fresh 33.21%
    Mint 30.4%
    Herb 30.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.31 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 108.58 ˚C est.

  • Synonyms

    • Octahydroeugenyl acetate
    • 67845-58-3
    • Cyclohexanol, 2-methoxy-4-propyl-, acetate
    • Cyclohexanol, 2-methoxy-4-propyl-, 1-acetate
    • EINECS 267-330-7
    • DTXSID00886947
    • RefChem:129624
    • DTXCID801026263
    • 2-Methoxy-4-propylcyclohexyl acetate
    • DCHIIKAIQRAGHB-UHFFFAOYSA-N
    • NS00055543
    • 67845-58-3

  • Applications

    Cyclohexanol, 2-methoxy-4-propyl-, 1-acetate (CAS number: 67845-58-3) is used in several applications as a fragrance ingredient and aroma intermediate in perfumery, where it can act as an odorant and blending component. It may also be employed in cosmetics and personal care formulations as a scent ingredient, and as a solvent or processing aid in household products and cleaners. In industrial manufacturing, it can serve as an intermediate in organic synthesis and as a component in coatings and inks that require a fragrance profile; in polymers and plastics, it may be evaluated as a fragrance additive or processing aid in specialty resin formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2262.46
    methanol 3187.7
    isopropanol 1843.99
    water 1.39
    ethyl acetate 1337.7
    n-propanol 1638.23
    acetone 1513.63
    n-butanol 1339.68
    acetonitrile 1260.46
    DMF 1160.59
    toluene 492.76
    isobutanol 1117.4
    1,4-dioxane 1716.65
    methyl acetate 870.0
    THF 1810.46
    2-butanone 992.55
    n-pentanol 748.48
    sec-butanol 1153.12
    n-hexane 43.75
    ethylene glycol 316.36
    NMP 887.77
    cyclohexane 142.23
    DMSO 1579.23
    n-butyl acetate 787.43
    n-octanol 202.88
    chloroform 3442.36
    n-propyl acetate 540.0
    acetic acid 1445.19
    dichloromethane 2902.59
    cyclohexanone 1557.03
    propylene glycol 451.55
    isopropyl acetate 821.31
    DMAc 788.88
    2-ethoxyethanol 882.6
    isopentanol 1038.91
    n-heptane 19.27
    ethyl formate 816.55
    1,2-dichloroethane 1611.57
    n-hexanol 685.39
    2-methoxyethanol 1571.89
    isobutyl acetate 391.56
    tetrachloromethane 421.21
    n-pentyl acetate 381.82
    transcutol 2071.89
    n-heptanol 205.21
    ethylbenzene 210.28
    MIBK 521.38
    2-propoxyethanol 948.94
    tert-butanol 1690.44
    MTBE 1057.34
    2-butoxyethanol 413.55
    propionic acid 1008.08
    o-xylene 302.88
    formic acid 482.82
    diethyl ether 1005.21
    m-xylene 336.52
    p-xylene 277.7
    chlorobenzene 793.64
    dimethyl carbonate 213.4
    n-octane 11.14
    formamide 521.61
    cyclopentanone 1339.44
    2-pentanone 864.87
    anisole 413.98
    cyclopentyl methyl ether 823.87
    gamma-butyrolactone 1522.7
    1-methoxy-2-propanol 1043.02
    pyridine 1185.2
    3-pentanone 505.83
    furfural 1243.8
    n-dodecane 11.31
    diethylene glycol 706.04
    diisopropyl ether 225.04
    tert-amyl alcohol 1064.1
    acetylacetone 836.07
    n-hexadecane 13.63
    acetophenone 395.74
    methyl propionate 661.08
    isopentyl acetate 643.87
    trichloroethylene 2695.37
    n-nonanol 169.79
    cyclohexanol 1052.95
    benzyl alcohol 463.92
    2-ethylhexanol 296.78
    isooctanol 174.32
    dipropyl ether 260.41
    1,2-dichlorobenzene 652.46
    ethyl lactate 232.81
    propylene carbonate 882.02
    n-methylformamide 775.61
    2-pentanol 778.49
    n-pentane 50.85
    1-propoxy-2-propanol 590.8
    1-methoxy-2-propyl acetate 580.02
    2-(2-methoxypropoxy) propanol 373.38
    mesitylene 195.98
    ε-caprolactone 1294.92
    p-cymene 135.8
    epichlorohydrin 1707.34
    1,1,1-trichloroethane 1455.25
    2-aminoethanol 731.16
    morpholine-4-carbaldehyde 1006.79
    sulfolane 1392.17
    2,2,4-trimethylpentane 39.22
    2-methyltetrahydrofuran 1393.4
    n-hexyl acetate 479.3
    isooctane 28.81
    2-(2-butoxyethoxy)ethanol 536.37
    sec-butyl acetate 402.96
    tert-butyl acetate 615.11
    decalin 58.23
    glycerin 518.13
    diglyme 961.71
    acrylic acid 708.17
    isopropyl myristate 153.46
    n-butyric acid 1637.64
    acetyl acetate 761.46
    di(2-ethylhexyl) phthalate 174.55
    ethyl propionate 429.96
    nitromethane 1576.08
    1,2-diethoxyethane 632.95
    benzonitrile 679.8
    trioctyl phosphate 121.7
    1-bromopropane 977.7
    gamma-valerolactone 1663.33
    n-decanol 120.82
    triethyl phosphate 162.91
    4-methyl-2-pentanol 348.87
    propionitrile 998.8
    vinylene carbonate 797.99
    1,1,2-trichlorotrifluoroethane 1160.89
    DMS 357.35
    cumene 144.71
    2-octanol 147.82
    2-hexanone 487.48
    octyl acetate 200.92
    limonene 207.7
    1,2-dimethoxyethane 1216.39
    ethyl orthosilicate 165.57
    tributyl phosphate 168.97
    diacetone alcohol 632.24
    N,N-dimethylaniline 242.27
    acrylonitrile 1011.3
    aniline 718.69
    1,3-propanediol 1012.05
    bromobenzene 851.41
    dibromomethane 1937.29
    1,1,2,2-tetrachloroethane 2262.64
    2-methyl-cyclohexyl acetate 291.38
    tetrabutyl urea 185.65
    diisobutyl methanol 162.38
    2-phenylethanol 420.35
    styrene 275.56
    dioctyl adipate 235.42
    dimethyl sulfate 333.91
    ethyl butyrate 399.9
    methyl lactate 311.76
    butyl lactate 310.4
    diethyl carbonate 260.06
    propanediol butyl ether 425.18
    triethyl orthoformate 251.53
    p-tert-butyltoluene 126.72
    methyl 4-tert-butylbenzoate 304.84
    morpholine 2084.19
    tert-butylamine 884.72
    n-dodecanol 88.86
    dimethoxymethane 673.74
    ethylene carbonate 768.81
    cyrene 330.17
    2-ethoxyethyl acetate 515.4
    2-ethylhexyl acetate 445.61
    1,2,4-trichlorobenzene 737.96
    4-methylpyridine 1177.42
    dibutyl ether 247.74
    2,6-dimethyl-4-heptanol 162.38
    DEF 799.8
    dimethyl isosorbide 558.68
    tetrachloroethylene 1430.3
    eugenol 313.35
    triacetin 423.47
    span 80 338.42
    1,4-butanediol 398.33
    1,1-dichloroethane 1850.41
    2-methyl-1-pentanol 585.0
    methyl formate 610.06
    2-methyl-1-butanol 912.55
    n-decane 20.4
    butyronitrile 1113.9
    3,7-dimethyl-1-octanol 230.1
    1-chlorooctane 132.18
    1-chlorotetradecane 47.34
    n-nonane 19.64
    undecane 14.35
    tert-butylcyclohexane 48.96
    cyclooctane 33.2
    cyclopentanol 1019.32
    tetrahydropyran 1732.83
    tert-amyl methyl ether 560.84
    2,5,8-trioxanonane 579.76
    1-hexene 257.29
    2-isopropoxyethanol 569.18
    2,2,2-trifluoroethanol 410.51
    methyl butyrate 647.6

    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