2-Methylcyclohexyl acetate

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  • Identifiers

    CAS number
    5726-19-2

    Molecular formula
    C9H16O2

    SMILES
    CC1CCCCC1OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.06%
    Sweet 67.79%
    Floral 66.44%
    Mint 51.12%
    Herbal 49.55%
    Banana 40.22%
    Apple 37.99%
    Woody 36.31%
    Fresh 35.94%
    Berry 35.28%

     

    Flavor
    Fruity 80.52%
    Sweet 67.89%
    Herbal 46.63%
    Fruit 42.78%
    Minty 38.73%
    Raspberry 35.37%
    Mint 34.4%
    Tropical 32.34%
    Berry 29.3%
    Herb 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.23 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    189°C

    Flash point

    • 77.13 ˚C est.

  • Synonyms

    • 2-Methylcyclohexyl acetate
    • 5726-19-2
    • 54714-33-9
    • Cyclohexanol, 2-methyl-, acetate
    • (2-methylcyclohexyl) acetate
    • 2-METHYLCYCLOHEXYLACETATE
    • UNII-DT3AUW483O
    • EINECS 227-231-1
    • 50539-19-0
    • DT3AUW483O
    • DTXSID70863609
    • EC 227-231-1
    • NSC 109144
    • NSC-109144
    • Acetic Acid 2-Methylcyclohexyl Ester
    • acetic acid,2-methylcyclohexan-1-ol
    • Cyclohexanol, 2-methyl-, acetate, trans-
    • Cyclohexanol, 2-methyl-, acetate, (1R-trans)-
    • SCHEMBL1928712
    • O-METHYLCYCLOHEXYL ACETATE
    • DTXCID40812200
    • AKIIJALHGMKJEJ-UHFFFAOYSA-N
    • MFCD00021390
    • NSC109144
    • Acetic acid, 2-methylcyclohexyl ester
    • AKOS006228957
    • ethanoic acid 2-methylcyclohexyl ester
    • DB-053026
    • DB-071215
    • A1329
    • CS-0331747
    • CYCLOHEXANOL, 2-METHYL-, 1-ACETATE
    • NS00009395
    • D88418
    • 227-231-1

  • Applications

    2-Methylcyclohexyl acetate (CAS number: 5726-19-2) is primarily used as a fragrance ingredient in perfumery and cosmetic formulations, providing green, fruity, or floral notes depending on concentration. It is commonly employed as an odorant in fine fragrances and personal care products and can also serve as a component within fragrance formulation systems. In industrial manufacturing, it can be used as an intermediate in the synthesis of fragrance compounds or as a constituent in household products to impart aroma. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1040.01
    methanol 1172.03
    isopropanol 1136.33
    water 2.24
    ethyl acetate 430.06
    n-propanol 867.0
    acetone 723.82
    n-butanol 721.44
    acetonitrile 727.33
    DMF 897.11
    toluene 332.27
    isobutanol 697.0
    1,4-dioxane 961.59
    methyl acetate 486.79
    THF 1040.81
    2-butanone 593.26
    n-pentanol 507.75
    sec-butanol 805.45
    n-hexane 89.23
    ethylene glycol 229.31
    NMP 627.83
    cyclohexane 142.62
    DMSO 848.7
    n-butyl acetate 497.73
    n-octanol 331.17
    chloroform 2375.36
    n-propyl acetate 275.34
    acetic acid 589.27
    dichloromethane 1811.0
    cyclohexanone 853.04
    propylene glycol 378.5
    isopropyl acetate 297.23
    DMAc 614.12
    2-ethoxyethanol 454.86
    isopentanol 628.81
    n-heptane 62.09
    ethyl formate 383.88
    1,2-dichloroethane 800.81
    n-hexanol 678.5
    2-methoxyethanol 741.15
    isobutyl acetate 208.75
    tetrachloromethane 301.17
    n-pentyl acetate 292.73
    transcutol 1039.74
    n-heptanol 284.87
    ethylbenzene 209.31
    MIBK 299.13
    2-propoxyethanol 684.79
    tert-butanol 1048.97
    MTBE 583.21
    2-butoxyethanol 384.32
    propionic acid 575.7
    o-xylene 251.94
    formic acid 173.88
    diethyl ether 441.88
    m-xylene 257.73
    p-xylene 283.48
    chlorobenzene 527.96
    dimethyl carbonate 129.02
    n-octane 34.28
    formamide 208.17
    cyclopentanone 809.13
    2-pentanone 435.87
    anisole 377.88
    cyclopentyl methyl ether 446.01
    gamma-butyrolactone 808.39
    1-methoxy-2-propanol 630.43
    pyridine 813.93
    3-pentanone 301.91
    furfural 803.73
    n-dodecane 36.35
    diethylene glycol 474.43
    diisopropyl ether 143.39
    tert-amyl alcohol 743.37
    acetylacetone 423.79
    n-hexadecane 40.98
    acetophenone 323.67
    methyl propionate 324.2
    isopentyl acetate 444.73
    trichloroethylene 1503.96
    n-nonanol 263.13
    cyclohexanol 637.3
    benzyl alcohol 346.08
    2-ethylhexanol 330.32
    isooctanol 233.96
    dipropyl ether 262.54
    1,2-dichlorobenzene 459.09
    ethyl lactate 175.86
    propylene carbonate 556.42
    n-methylformamide 469.39
    2-pentanol 506.75
    n-pentane 93.24
    1-propoxy-2-propanol 509.48
    1-methoxy-2-propyl acetate 374.9
    2-(2-methoxypropoxy) propanol 372.81
    mesitylene 174.12
    ε-caprolactone 661.53
    p-cymene 161.64
    epichlorohydrin 913.68
    1,1,1-trichloroethane 858.19
    2-aminoethanol 457.95
    morpholine-4-carbaldehyde 725.59
    sulfolane 934.97
    2,2,4-trimethylpentane 55.74
    2-methyltetrahydrofuran 800.54
    n-hexyl acetate 436.14
    isooctane 47.38
    2-(2-butoxyethoxy)ethanol 454.85
    sec-butyl acetate 201.69
    tert-butyl acetate 303.55
    decalin 71.86
    glycerin 381.53
    diglyme 706.01
    acrylic acid 444.84
    isopropyl myristate 181.61
    n-butyric acid 692.15
    acetyl acetate 277.5
    di(2-ethylhexyl) phthalate 189.68
    ethyl propionate 228.73
    nitromethane 677.28
    1,2-diethoxyethane 387.32
    benzonitrile 597.96
    trioctyl phosphate 147.23
    1-bromopropane 683.82
    gamma-valerolactone 936.16
    n-decanol 195.22
    triethyl phosphate 145.42
    4-methyl-2-pentanol 281.49
    propionitrile 652.48
    vinylene carbonate 519.79
    1,1,2-trichlorotrifluoroethane 617.86
    DMS 275.01
    cumene 164.44
    2-octanol 227.93
    2-hexanone 343.68
    octyl acetate 232.83
    limonene 239.14
    1,2-dimethoxyethane 680.17
    ethyl orthosilicate 134.88
    tributyl phosphate 166.51
    diacetone alcohol 403.67
    N,N-dimethylaniline 256.36
    acrylonitrile 720.2
    aniline 439.94
    1,3-propanediol 539.03
    bromobenzene 567.98
    dibromomethane 1291.37
    1,1,2,2-tetrachloroethane 1249.89
    2-methyl-cyclohexyl acetate 247.2
    tetrabutyl urea 202.32
    diisobutyl methanol 190.41
    2-phenylethanol 375.25
    styrene 263.84
    dioctyl adipate 243.08
    dimethyl sulfate 218.24
    ethyl butyrate 287.51
    methyl lactate 218.93
    butyl lactate 253.91
    diethyl carbonate 194.11
    propanediol butyl ether 428.58
    triethyl orthoformate 188.08
    p-tert-butyltoluene 159.0
    methyl 4-tert-butylbenzoate 323.94
    morpholine 1068.17
    tert-butylamine 676.46
    n-dodecanol 151.33
    dimethoxymethane 403.17
    ethylene carbonate 420.53
    cyrene 283.62
    2-ethoxyethyl acetate 326.89
    2-ethylhexyl acetate 314.73
    1,2,4-trichlorobenzene 508.96
    4-methylpyridine 797.48
    dibutyl ether 267.88
    2,6-dimethyl-4-heptanol 190.41
    DEF 430.68
    dimethyl isosorbide 497.91
    tetrachloroethylene 751.64
    eugenol 319.38
    triacetin 352.6
    span 80 383.55
    1,4-butanediol 270.88
    1,1-dichloroethane 1102.26
    2-methyl-1-pentanol 425.69
    methyl formate 345.32
    2-methyl-1-butanol 581.78
    n-decane 55.19
    butyronitrile 690.62
    3,7-dimethyl-1-octanol 306.76
    1-chlorooctane 212.13
    1-chlorotetradecane 89.69
    n-nonane 54.83
    undecane 43.79
    tert-butylcyclohexane 74.34
    cyclooctane 43.89
    cyclopentanol 720.72
    tetrahydropyran 852.7
    tert-amyl methyl ether 371.83
    2,5,8-trioxanonane 528.41
    1-hexene 308.93
    2-isopropoxyethanol 342.2
    2,2,2-trifluoroethanol 166.21
    methyl butyrate 337.3

    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