4-Methylcyclohexanol acetate

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  • Identifiers

    CAS number
    13332-20-2

    Molecular formula
    C9H16O2

    SMILES
    CC1CCC(CC1)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 94.07%
    Sweet 71.39%
    Floral 59.76%
    Banana 54.34%
    Apple 46.28%
    Mint 46.11%
    Herbal 45.59%
    Fresh 40.37%
    Green 38.52%
    Woody 37.51%

     

    Flavor
    Fruity 74.93%
    Sweet 71.39%
    Herbal 47.51%
    Fruit 41.42%
    Minty 36.18%
    Raspberry 36.14%
    Mint 34.05%
    Tropical 32.36%
    Musty 31.12%
    Woody 29.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.48 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    192°C

    Flash point

    • 78.48 ˚C est.

  • Synonyms

    • 4-Methylcyclohexanol acetate
    • 4-Methylcyclohexyl acetate
    • 13332-20-2
    • (4-methylcyclohexyl) acetate
    • cis-4-Methylcyclohexyl acetate
    • 22597-23-5
    • EINECS 236-383-8
    • ACETIC ACID CIS-4-METHYLCYCLOHEXYL ESTER
    • 4-Methylcyclohexyl acetate #
    • SCHEMBL938461
    • SCHEMBL4947612
    • SCHEMBL9965126
    • SCHEMBL13034079
    • SCHEMBL16714026
    • trans-4-methylcyclohexyl acetate
    • DTXSID80928076
    • VJBFCCCTSQEGMH-OTSSQURYSA-N
    • VJBFCCCTSQEGMH-XWEPSHTISA-N
    • NSC52969
    • NSC 52969
    • NSC-52969
    • AKOS006242787
    • Acetic acid, cis-4-methylcyclohexyl ester
    • NS00051097

  • Applications

    4-Methylcyclohexanol acetate (CAS 13332-20-2) is primarily used as a fragrance ingredient and odorant in perfumery, cosmetics, and household cleaning products; it can function as a solvent or processing aid in coatings, varnishes, and inks; it serves as a useful intermediate in organic synthesis and may act as a plasticizer or co-solvent in polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1140.79
    methanol 1563.25
    isopropanol 924.39
    water 2.78
    ethyl acetate 632.56
    n-propanol 917.61
    acetone 1167.3
    n-butanol 747.53
    acetonitrile 735.89
    DMF 1201.23
    toluene 357.98
    isobutanol 634.38
    1,4-dioxane 1186.73
    methyl acetate 642.43
    THF 1461.99
    2-butanone 827.01
    n-pentanol 477.38
    sec-butanol 727.14
    n-hexane 129.18
    ethylene glycol 271.4
    NMP 903.82
    cyclohexane 116.98
    DMSO 1240.66
    n-butyl acetate 449.27
    n-octanol 211.73
    chloroform 2402.67
    n-propyl acetate 316.69
    acetic acid 956.04
    dichloromethane 1479.44
    cyclohexanone 977.19
    propylene glycol 412.86
    isopropyl acetate 413.13
    DMAc 864.99
    2-ethoxyethanol 555.8
    isopentanol 641.43
    n-heptane 30.21
    ethyl formate 405.33
    1,2-dichloroethane 961.4
    n-hexanol 506.83
    2-methoxyethanol 1005.22
    isobutyl acetate 230.39
    tetrachloromethane 353.46
    n-pentyl acetate 257.62
    transcutol 1870.01
    n-heptanol 189.59
    ethylbenzene 190.77
    MIBK 371.55
    2-propoxyethanol 742.82
    tert-butanol 994.89
    MTBE 740.89
    2-butoxyethanol 348.94
    propionic acid 797.83
    o-xylene 220.38
    formic acid 381.15
    diethyl ether 654.55
    m-xylene 252.66
    p-xylene 242.97
    chlorobenzene 601.41
    dimethyl carbonate 186.8
    n-octane 13.55
    formamide 402.57
    cyclopentanone 1117.36
    2-pentanone 607.61
    anisole 384.9
    cyclopentyl methyl ether 625.92
    gamma-butyrolactone 1132.42
    1-methoxy-2-propanol 794.65
    pyridine 922.1
    3-pentanone 430.26
    furfural 928.82
    n-dodecane 11.77
    diethylene glycol 550.01
    diisopropyl ether 168.53
    tert-amyl alcohol 721.32
    acetylacetone 576.21
    n-hexadecane 13.93
    acetophenone 319.31
    methyl propionate 454.31
    isopentyl acetate 407.72
    trichloroethylene 1737.82
    n-nonanol 168.42
    cyclohexanol 586.3
    benzyl alcohol 354.19
    2-ethylhexanol 242.42
    isooctanol 148.97
    dipropyl ether 218.09
    1,2-dichlorobenzene 484.75
    ethyl lactate 176.0
    propylene carbonate 575.14
    n-methylformamide 651.59
    2-pentanol 465.73
    n-pentane 87.24
    1-propoxy-2-propanol 481.18
    1-methoxy-2-propyl acetate 415.22
    2-(2-methoxypropoxy) propanol 366.44
    mesitylene 159.51
    ε-caprolactone 791.68
    p-cymene 102.28
    epichlorohydrin 1137.64
    1,1,1-trichloroethane 1095.93
    2-aminoethanol 554.86
    morpholine-4-carbaldehyde 872.48
    sulfolane 1183.4
    2,2,4-trimethylpentane 45.5
    2-methyltetrahydrofuran 1052.26
    n-hexyl acetate 410.99
    isooctane 34.45
    2-(2-butoxyethoxy)ethanol 524.37
    sec-butyl acetate 253.94
    tert-butyl acetate 427.61
    decalin 62.81
    glycerin 504.12
    diglyme 761.36
    acrylic acid 685.3
    isopropyl myristate 130.67
    n-butyric acid 841.6
    acetyl acetate 382.03
    di(2-ethylhexyl) phthalate 156.44
    ethyl propionate 288.35
    nitromethane 1050.6
    1,2-diethoxyethane 475.84
    benzonitrile 480.08
    trioctyl phosphate 102.7
    1-bromopropane 658.18
    gamma-valerolactone 1188.22
    n-decanol 117.82
    triethyl phosphate 117.57
    4-methyl-2-pentanol 255.57
    propionitrile 617.81
    vinylene carbonate 539.82
    1,1,2-trichlorotrifluoroethane 899.32
    DMS 314.24
    cumene 131.31
    2-octanol 133.83
    2-hexanone 398.46
    octyl acetate 175.38
    limonene 147.87
    1,2-dimethoxyethane 830.49
    ethyl orthosilicate 127.18
    tributyl phosphate 143.92
    diacetone alcohol 524.46
    N,N-dimethylaniline 235.47
    acrylonitrile 693.59
    aniline 552.41
    1,3-propanediol 654.01
    bromobenzene 619.87
    dibromomethane 1088.63
    1,1,2,2-tetrachloroethane 1661.3
    2-methyl-cyclohexyl acetate 215.81
    tetrabutyl urea 167.73
    diisobutyl methanol 129.57
    2-phenylethanol 345.99
    styrene 260.27
    dioctyl adipate 196.55
    dimethyl sulfate 307.94
    ethyl butyrate 228.12
    methyl lactate 272.15
    butyl lactate 250.9
    diethyl carbonate 156.24
    propanediol butyl ether 427.76
    triethyl orthoformate 175.08
    p-tert-butyltoluene 103.71
    methyl 4-tert-butylbenzoate 272.52
    morpholine 1376.54
    tert-butylamine 602.32
    n-dodecanol 85.89
    dimethoxymethane 529.72
    ethylene carbonate 465.4
    cyrene 298.13
    2-ethoxyethyl acetate 375.12
    2-ethylhexyl acetate 310.61
    1,2,4-trichlorobenzene 579.63
    4-methylpyridine 888.05
    dibutyl ether 223.12
    2,6-dimethyl-4-heptanol 129.57
    DEF 571.16
    dimethyl isosorbide 487.97
    tetrachloroethylene 1030.57
    eugenol 281.29
    triacetin 352.79
    span 80 335.8
    1,4-butanediol 251.26
    1,1-dichloroethane 1207.17
    2-methyl-1-pentanol 418.41
    methyl formate 430.57
    2-methyl-1-butanol 578.61
    n-decane 22.28
    butyronitrile 616.97
    3,7-dimethyl-1-octanol 233.19
    1-chlorooctane 128.05
    1-chlorotetradecane 42.86
    n-nonane 21.68
    undecane 15.39
    tert-butylcyclohexane 61.36
    cyclooctane 33.96
    cyclopentanol 687.8
    tetrahydropyran 1122.25
    tert-amyl methyl ether 472.83
    2,5,8-trioxanonane 508.22
    1-hexene 398.55
    2-isopropoxyethanol 385.4
    2,2,2-trifluoroethanol 311.69
    methyl butyrate 395.26

    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