Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72183-75-6

    Molecular formula
    C13H24O2

    SMILES
    CCC(C)C1CCCCC1(C)OC(=O)C

  • Odor profile

    Fragrance
    Woody 81.49%
    Floral 67.05%
    Fruity 57.06%
    Sweet 55.21%
    Herbal 50.54%
    Balsamic 43.7%
    Fresh 42.42%
    Spicy 39.16%
    Dry 38.15%
    Rose 35.82%

     

    Flavor
    Woody 57.52%
    Sweet 55.59%
    Herbal 51.17%
    Green 37.86%
    Tropical 36.1%
    Citrus 35.76%
    Pine 33.54%
    Fruity 31.83%
    Mint 30.72%
    Camphor 30.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.96 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 104.93 ˚C est.

  • Synonyms

    • 72183-75-6
    • 1-Methyl-2-(1-methylpropyl)cyclohexyl acetate
    • (2-butan-2-yl-1-methylcyclohexyl) acetate
    • EINECS 276-442-5
    • Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, acetate
    • Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetate
    • DTXSID70868098
    • SCHEMBL7539751
    • DTXCID90816238
    • NRQHBELEOZLJOJ-UHFFFAOYSA-N
    • methyl methyl propyl cyclohexyl acetate
    • NS00012927

  • Applications

    Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetate (CAS 72183-75-6) is used primarily as a fragrance ingredient and fragrance fixative in perfumery and cosmetics, and also serves as a solvent or processing aid in coatings, inks, and adhesives. It can function as an intermediate in organic synthesis of other aromatic esters or specialty chemicals, and may be employed in household products as a solvent or odorant carrier in air fresheners and cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3095.69
    methanol 3936.29
    isopropanol 3309.9
    water 1.24
    ethyl acetate 2476.56
    n-propanol 3172.26
    acetone 3195.89
    n-butanol 2725.7
    acetonitrile 2949.67
    DMF 2876.3
    toluene 2526.79
    isobutanol 2779.25
    1,4-dioxane 4353.39
    methyl acetate 2120.69
    THF 6124.29
    2-butanone 2768.31
    n-pentanol 1613.23
    sec-butanol 2819.31
    n-hexane 639.81
    ethylene glycol 308.09
    NMP 2641.71
    cyclohexane 1458.18
    DMSO 2047.29
    n-butyl acetate 2173.74
    n-octanol 909.52
    chloroform 8299.92
    n-propyl acetate 1290.06
    acetic acid 1445.39
    dichloromethane 6117.55
    cyclohexanone 5321.71
    propylene glycol 583.68
    isopropyl acetate 1691.02
    DMAc 1950.07
    2-ethoxyethanol 1096.02
    isopentanol 2329.73
    n-heptane 283.25
    ethyl formate 1544.57
    1,2-dichloroethane 3569.73
    n-hexanol 2565.98
    2-methoxyethanol 2059.33
    isobutyl acetate 919.02
    tetrachloromethane 1346.41
    n-pentyl acetate 1333.86
    transcutol 2761.47
    n-heptanol 873.33
    ethylbenzene 952.21
    MIBK 1483.72
    2-propoxyethanol 2265.45
    tert-butanol 3216.01
    MTBE 3434.74
    2-butoxyethanol 923.63
    propionic acid 1657.87
    o-xylene 1202.33
    formic acid 371.47
    diethyl ether 3307.91
    m-xylene 1449.49
    p-xylene 1215.72
    chlorobenzene 2782.89
    dimethyl carbonate 595.71
    n-octane 112.47
    formamide 484.25
    cyclopentanone 4254.02
    2-pentanone 2508.07
    anisole 1249.66
    cyclopentyl methyl ether 3305.41
    gamma-butyrolactone 3941.96
    1-methoxy-2-propanol 1714.23
    pyridine 3664.56
    3-pentanone 1826.07
    furfural 2471.44
    n-dodecane 78.41
    diethylene glycol 985.57
    diisopropyl ether 1004.27
    tert-amyl alcohol 2540.87
    acetylacetone 1748.61
    n-hexadecane 96.47
    acetophenone 1027.49
    methyl propionate 1669.52
    isopentyl acetate 1851.17
    trichloroethylene 5651.32
    n-nonanol 716.47
    cyclohexanol 3460.68
    benzyl alcohol 1053.32
    2-ethylhexanol 1191.04
    isooctanol 669.8
    dipropyl ether 1187.81
    1,2-dichlorobenzene 1858.55
    ethyl lactate 420.76
    propylene carbonate 2146.86
    n-methylformamide 1560.76
    2-pentanol 2001.93
    n-pentane 627.4
    1-propoxy-2-propanol 1443.18
    1-methoxy-2-propyl acetate 1394.76
    2-(2-methoxypropoxy) propanol 761.7
    mesitylene 824.05
    ε-caprolactone 3737.94
    p-cymene 511.84
    epichlorohydrin 3974.77
    1,1,1-trichloroethane 3869.22
    2-aminoethanol 870.83
    morpholine-4-carbaldehyde 2422.75
    sulfolane 3272.34
    2,2,4-trimethylpentane 259.73
    2-methyltetrahydrofuran 5123.97
    n-hexyl acetate 1836.65
    isooctane 191.82
    2-(2-butoxyethoxy)ethanol 1081.34
    sec-butyl acetate 943.15
    tert-butyl acetate 1527.68
    decalin 376.92
    glycerin 539.17
    diglyme 1828.46
    acrylic acid 1044.18
    isopropyl myristate 536.52
    n-butyric acid 2560.82
    acetyl acetate 1222.66
    di(2-ethylhexyl) phthalate 475.97
    ethyl propionate 1104.48
    nitromethane 2192.62
    1,2-diethoxyethane 1387.24
    benzonitrile 1918.4
    trioctyl phosphate 378.06
    1-bromopropane 3281.67
    gamma-valerolactone 4081.79
    n-decanol 472.46
    triethyl phosphate 367.25
    4-methyl-2-pentanol 975.06
    propionitrile 2960.36
    vinylene carbonate 1832.52
    1,1,2-trichlorotrifluoroethane 1828.47
    DMS 1003.51
    cumene 596.23
    2-octanol 706.53
    2-hexanone 1565.18
    octyl acetate 715.33
    limonene 916.13
    1,2-dimethoxyethane 2397.43
    ethyl orthosilicate 371.98
    tributyl phosphate 452.96
    diacetone alcohol 1309.75
    N,N-dimethylaniline 749.29
    acrylonitrile 2585.73
    aniline 2084.03
    1,3-propanediol 1188.82
    bromobenzene 3038.68
    dibromomethane 4815.9
    1,1,2,2-tetrachloroethane 4746.01
    2-methyl-cyclohexyl acetate 816.92
    tetrabutyl urea 549.99
    diisobutyl methanol 516.35
    2-phenylethanol 1213.1
    styrene 1176.15
    dioctyl adipate 645.29
    dimethyl sulfate 805.73
    ethyl butyrate 1006.85
    methyl lactate 568.21
    butyl lactate 763.49
    diethyl carbonate 585.02
    propanediol butyl ether 900.76
    triethyl orthoformate 621.09
    p-tert-butyltoluene 486.77
    methyl 4-tert-butylbenzoate 840.07
    morpholine 4945.61
    tert-butylamine 2306.15
    n-dodecanol 326.83
    dimethoxymethane 1898.43
    ethylene carbonate 1803.48
    cyrene 655.62
    2-ethoxyethyl acetate 1264.89
    2-ethylhexyl acetate 1476.86
    1,2,4-trichlorobenzene 2039.8
    4-methylpyridine 4057.64
    dibutyl ether 1018.46
    2,6-dimethyl-4-heptanol 516.35
    DEF 2189.68
    dimethyl isosorbide 1318.59
    tetrachloroethylene 2927.01
    eugenol 710.07
    triacetin 960.64
    span 80 808.73
    1,4-butanediol 472.32
    1,1-dichloroethane 4636.98
    2-methyl-1-pentanol 1412.9
    methyl formate 1138.37
    2-methyl-1-butanol 2356.65
    n-decane 160.39
    butyronitrile 3079.64
    3,7-dimethyl-1-octanol 792.08
    1-chlorooctane 724.93
    1-chlorotetradecane 227.07
    n-nonane 174.51
    undecane 106.28
    tert-butylcyclohexane 318.83
    cyclooctane 366.23
    cyclopentanol 3217.42
    tetrahydropyran 6491.43
    tert-amyl methyl ether 1987.42
    2,5,8-trioxanonane 1067.36
    1-hexene 1790.55
    2-isopropoxyethanol 842.89
    2,2,2-trifluoroethanol 436.65
    methyl butyrate 1580.19

    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